USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 36:sc= -5.26! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -0.774 USER MOD Set 1.3: A 145 GLN : amide:sc= 0.111 X(o=-5.9,f=-6) USER MOD Set 2.1: A 45 GLN : amide:sc= -4.21! C(o=-15!,f=-20!) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -11.1! C(o=-17!,f=-15!) USER MOD Set 3.1: A 27 THR OG1 : rot 81:sc= -0.534! USER MOD Set 3.2: A 28 SER OG : rot 29:sc= 0.0485 USER MOD Single : A 12 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-12!) USER MOD Single : A 13 THR OG1 : rot 137:sc= -3.84! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00627 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -126:sc= -1.84 (180deg=-4.14!) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.234 F(o=-1.7,f=-0.23) USER MOD Single : A 65 SER OG : rot 180:sc= -2.79! USER MOD Single : A 66 TYR OH : rot 104:sc= 0.488! USER MOD Single : A 69 SER OG : rot 180:sc= -3.33! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -147:sc= -0.145 (180deg=-0.83) USER MOD Single : A 93 THR OG1 : rot 114:sc= -0.523! USER MOD Single : A 97 GLN : amide:sc= -5.85! C(o=-5.8!,f=-7.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 111 TYR OH : rot 150:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 115 SER OG : rot -28:sc= -13.3! USER MOD Single : A 116 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.2!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 128 GLN :FLIP amide:sc= -1.36 F(o=-2.8!,f=-1.4) USER MOD Single : A 132 HIS :FLIP no HE2:sc= -1.77 F(o=-3.8!,f=-1.8) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= -5.05! USER MOD Single : A 147 SER OG : rot -80:sc= 1.21 USER MOD Single : A 149 THR OG1 : rot 177:sc= -2.57! USER MOD Single : A 150 THR OG1 : rot 59:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.529 -9.051 -11.389 1.00 2.11 N ATOM 82 CA VAL A 7 -12.859 -7.698 -11.920 1.00 2.12 C ATOM 83 C VAL A 7 -11.662 -6.766 -11.717 1.00 2.11 C ATOM 84 O VAL A 7 -11.471 -6.206 -10.656 1.00 2.83 O ATOM 85 CB VAL A 7 -14.072 -7.140 -11.173 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.941 -6.332 -12.141 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.891 -8.296 -10.598 1.00 2.42 C ATOM 0 HA VAL A 7 -13.088 -7.770 -12.983 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.734 -6.494 -10.363 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.805 -5.934 -11.609 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.358 -5.508 -12.553 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.279 -6.977 -12.952 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.756 -7.900 -10.065 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.229 -8.941 -11.409 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.273 -8.872 -9.909 1.00 2.42 H new ATOM 97 N GLU A 8 -10.854 -6.594 -12.727 1.00 1.96 N ATOM 98 CA GLU A 8 -9.671 -5.699 -12.591 1.00 2.32 C ATOM 99 C GLU A 8 -10.087 -4.256 -12.882 1.00 2.30 C ATOM 100 O GLU A 8 -9.906 -3.756 -13.975 1.00 2.59 O ATOM 101 CB GLU A 8 -8.589 -6.129 -13.585 1.00 3.06 C ATOM 102 CG GLU A 8 -7.213 -5.739 -13.042 1.00 3.55 C ATOM 103 CD GLU A 8 -6.763 -6.767 -12.003 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.485 -6.959 -11.037 1.00 4.75 O ATOM 105 OE2 GLU A 8 -5.706 -7.345 -12.189 1.00 4.42 O ATOM 0 H GLU A 8 -10.962 -7.035 -13.640 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.279 -5.766 -11.576 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -8.636 -7.206 -13.747 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -8.758 -5.654 -14.551 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -6.490 -5.689 -13.856 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.256 -4.747 -12.592 1.00 3.55 H new ATOM 112 N LEU A 9 -10.643 -3.581 -11.913 1.00 2.76 N ATOM 113 CA LEU A 9 -11.069 -2.171 -12.135 1.00 3.48 C ATOM 114 C LEU A 9 -9.969 -1.419 -12.886 1.00 3.43 C ATOM 115 O LEU A 9 -10.205 -0.389 -13.486 1.00 4.12 O ATOM 116 CB LEU A 9 -11.319 -1.498 -10.784 1.00 3.72 C ATOM 117 CG LEU A 9 -11.783 -2.546 -9.771 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.254 -1.848 -8.493 1.00 4.95 C ATOM 119 CD2 LEU A 9 -12.940 -3.351 -10.366 1.00 3.49 C ATOM 0 H LEU A 9 -10.820 -3.946 -10.977 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.986 -2.155 -12.724 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.408 -1.015 -10.432 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -12.073 -0.718 -10.888 1.00 3.72 H new ATOM 0 HG LEU A 9 -10.955 -3.215 -9.536 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -12.585 -2.595 -7.771 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.431 -1.272 -8.069 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.082 -1.179 -8.728 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -13.272 -4.098 -9.645 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.767 -2.681 -10.600 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -12.607 -3.848 -11.277 1.00 3.49 H new ATOM 131 N LEU A 10 -8.766 -1.924 -12.858 1.00 2.81 N ATOM 132 CA LEU A 10 -7.651 -1.237 -13.570 1.00 2.72 C ATOM 133 C LEU A 10 -7.053 -2.207 -14.594 1.00 2.86 C ATOM 134 O LEU A 10 -6.077 -2.880 -14.331 1.00 2.83 O ATOM 135 CB LEU A 10 -6.588 -0.823 -12.542 1.00 2.41 C ATOM 136 CG LEU A 10 -5.473 0.042 -13.160 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.252 -0.828 -13.466 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.939 0.728 -14.449 1.00 2.07 C ATOM 0 H LEU A 10 -8.507 -2.783 -12.373 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.012 -0.348 -14.086 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.066 -0.270 -11.733 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.147 -1.717 -12.100 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.213 0.814 -12.436 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.466 -0.212 -13.903 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -3.888 -1.281 -12.544 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.531 -1.612 -14.170 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.126 1.329 -14.856 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.231 -0.028 -15.178 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.792 1.371 -14.231 1.00 2.07 H new ATOM 150 N PRO A 11 -7.650 -2.277 -15.753 1.00 3.10 N ATOM 151 CA PRO A 11 -7.191 -3.179 -16.850 1.00 3.32 C ATOM 152 C PRO A 11 -5.759 -2.867 -17.292 1.00 2.96 C ATOM 153 O PRO A 11 -5.346 -3.213 -18.380 1.00 3.09 O ATOM 154 CB PRO A 11 -8.170 -2.912 -17.998 1.00 3.83 C ATOM 155 CG PRO A 11 -9.350 -2.231 -17.383 1.00 3.73 C ATOM 156 CD PRO A 11 -8.837 -1.503 -16.142 1.00 3.29 C ATOM 0 HA PRO A 11 -7.179 -4.221 -16.529 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.712 -2.285 -18.763 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.465 -3.842 -18.483 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.801 -1.530 -18.085 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.120 -2.955 -17.117 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.585 -0.466 -16.361 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.584 -1.488 -15.348 1.00 3.29 H new ATOM 164 N HIS A 12 -5.000 -2.211 -16.457 1.00 2.52 N ATOM 165 CA HIS A 12 -3.598 -1.876 -16.834 1.00 2.16 C ATOM 166 C HIS A 12 -2.628 -2.542 -15.855 1.00 1.83 C ATOM 167 O HIS A 12 -2.391 -2.053 -14.769 1.00 1.69 O ATOM 168 CB HIS A 12 -3.403 -0.360 -16.791 1.00 2.13 C ATOM 169 CG HIS A 12 -1.961 -0.033 -17.071 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.336 -0.402 -18.252 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.009 0.624 -16.332 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.065 0.031 -18.189 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.189 0.662 -17.042 1.00 1.82 N ATOM 0 H HIS A 12 -5.290 -1.893 -15.532 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.401 -2.239 -17.843 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.046 0.121 -17.528 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.692 0.027 -15.814 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -1.165 1.047 -15.350 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.663 -0.115 -18.973 1.00 1.94 H new ATOM 0 HE2 HIS A 12 1.071 1.082 -16.748 1.00 1.82 H new ATOM 181 N THR A 13 -2.061 -3.655 -16.232 1.00 1.82 N ATOM 182 CA THR A 13 -1.106 -4.350 -15.324 1.00 1.56 C ATOM 183 C THR A 13 0.076 -4.876 -16.139 1.00 1.39 C ATOM 184 O THR A 13 0.379 -6.051 -16.126 1.00 1.58 O ATOM 185 CB THR A 13 -1.816 -5.518 -14.636 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.060 -5.931 -13.507 1.00 1.59 O ATOM 187 CG2 THR A 13 -1.955 -6.684 -15.615 1.00 1.97 C ATOM 0 H THR A 13 -2.218 -4.113 -17.130 1.00 1.82 H new ATOM 0 HA THR A 13 -0.744 -3.652 -14.569 1.00 1.56 H new ATOM 0 HB THR A 13 -2.807 -5.200 -14.313 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.663 -6.098 -12.753 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.461 -7.514 -15.122 1.00 1.97 H new ATOM 0 HG22 THR A 13 -2.537 -6.366 -16.480 1.00 1.97 H new ATOM 0 HG23 THR A 13 -0.966 -7.004 -15.942 1.00 1.97 H new ATOM 195 N SER A 14 0.745 -4.012 -16.853 1.00 1.20 N ATOM 196 CA SER A 14 1.906 -4.465 -17.670 1.00 1.07 C ATOM 197 C SER A 14 3.009 -3.404 -17.636 1.00 1.04 C ATOM 198 O SER A 14 3.386 -2.855 -18.653 1.00 1.10 O ATOM 199 CB SER A 14 1.456 -4.683 -19.115 1.00 1.14 C ATOM 200 OG SER A 14 0.630 -5.838 -19.180 1.00 1.96 O ATOM 0 H SER A 14 0.538 -3.015 -16.906 1.00 1.20 H new ATOM 0 HA SER A 14 2.292 -5.399 -17.261 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.910 -3.810 -19.474 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.323 -4.805 -19.764 1.00 1.14 H new ATOM 0 HG SER A 14 0.338 -5.980 -20.105 1.00 1.96 H new ATOM 206 N PHE A 15 3.536 -3.113 -16.477 1.00 1.01 N ATOM 207 CA PHE A 15 4.619 -2.093 -16.386 1.00 1.00 C ATOM 208 C PHE A 15 5.860 -2.618 -17.111 1.00 1.00 C ATOM 209 O PHE A 15 6.979 -2.355 -16.718 1.00 0.98 O ATOM 210 CB PHE A 15 4.964 -1.838 -14.916 1.00 0.98 C ATOM 211 CG PHE A 15 3.970 -0.877 -14.305 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.689 -0.738 -14.855 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.332 -0.125 -13.180 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.774 0.151 -14.280 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.417 0.764 -12.605 1.00 1.76 C ATOM 216 CZ PHE A 15 2.137 0.902 -13.156 1.00 0.95 C ATOM 0 H PHE A 15 3.263 -3.537 -15.590 1.00 1.01 H new ATOM 0 HA PHE A 15 4.284 -1.163 -16.845 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.957 -2.778 -14.365 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.971 -1.429 -14.837 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.408 -1.317 -15.722 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.319 -0.232 -12.756 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.786 0.258 -14.704 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.698 1.343 -11.737 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.430 1.588 -12.714 1.00 0.95 H new ATOM 226 N ALA A 16 5.671 -3.368 -18.163 1.00 1.06 N ATOM 227 CA ALA A 16 6.839 -3.920 -18.907 1.00 1.09 C ATOM 228 C ALA A 16 7.268 -2.945 -20.007 1.00 1.10 C ATOM 229 O ALA A 16 8.437 -2.811 -20.305 1.00 1.18 O ATOM 230 CB ALA A 16 6.451 -5.259 -19.539 1.00 1.14 C ATOM 0 H ALA A 16 4.758 -3.622 -18.539 1.00 1.06 H new ATOM 0 HA ALA A 16 7.668 -4.065 -18.214 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.303 -5.665 -20.084 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.154 -5.958 -18.757 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.619 -5.109 -20.227 1.00 1.14 H new ATOM 236 N GLU A 17 6.335 -2.268 -20.617 1.00 1.15 N ATOM 237 CA GLU A 17 6.699 -1.312 -21.698 1.00 1.19 C ATOM 238 C GLU A 17 6.469 0.120 -21.215 1.00 1.29 C ATOM 239 O GLU A 17 7.374 0.782 -20.747 1.00 1.41 O ATOM 240 CB GLU A 17 5.827 -1.584 -22.925 1.00 1.32 C ATOM 241 CG GLU A 17 6.524 -2.600 -23.833 1.00 1.41 C ATOM 242 CD GLU A 17 7.836 -2.006 -24.352 1.00 1.67 C ATOM 243 OE1 GLU A 17 8.030 -0.814 -24.185 1.00 2.13 O ATOM 244 OE2 GLU A 17 8.622 -2.756 -24.907 1.00 1.96 O ATOM 0 H GLU A 17 5.338 -2.336 -20.414 1.00 1.15 H new ATOM 0 HA GLU A 17 7.750 -1.439 -21.959 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.854 -1.965 -22.615 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.648 -0.657 -23.469 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.722 -3.520 -23.283 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.875 -2.862 -24.669 1.00 1.41 H new ATOM 251 N SER A 18 5.263 0.606 -21.326 1.00 1.41 N ATOM 252 CA SER A 18 4.976 1.996 -20.874 1.00 1.64 C ATOM 253 C SER A 18 4.454 1.967 -19.437 1.00 1.51 C ATOM 254 O SER A 18 3.739 1.067 -19.044 1.00 1.30 O ATOM 255 CB SER A 18 3.921 2.623 -21.786 1.00 2.02 C ATOM 256 OG SER A 18 2.827 1.725 -21.925 1.00 2.26 O ATOM 0 H SER A 18 4.465 0.101 -21.710 1.00 1.41 H new ATOM 0 HA SER A 18 5.891 2.587 -20.917 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.579 3.570 -21.368 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.352 2.843 -22.763 1.00 2.02 H new ATOM 0 HG SER A 18 2.148 2.124 -22.508 1.00 2.26 H new ATOM 262 N LEU A 19 4.807 2.945 -18.649 1.00 1.67 N ATOM 263 CA LEU A 19 4.331 2.972 -17.237 1.00 1.59 C ATOM 264 C LEU A 19 2.802 2.906 -17.213 1.00 1.72 C ATOM 265 O LEU A 19 2.219 2.063 -16.561 1.00 2.45 O ATOM 266 CB LEU A 19 4.798 4.265 -16.566 1.00 1.61 C ATOM 267 CG LEU A 19 4.803 4.081 -15.048 1.00 1.71 C ATOM 268 CD1 LEU A 19 3.398 3.707 -14.574 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.780 2.965 -14.672 1.00 1.37 C ATOM 0 H LEU A 19 5.404 3.726 -18.921 1.00 1.67 H new ATOM 0 HA LEU A 19 4.739 2.117 -16.699 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.797 4.527 -16.914 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.138 5.088 -16.841 1.00 1.61 H new ATOM 0 HG LEU A 19 5.112 5.011 -14.572 1.00 1.71 H new ATOM 0 HD11 LEU A 19 3.402 3.576 -13.492 1.00 2.60 H new ATOM 0 HD12 LEU A 19 2.701 4.501 -14.841 1.00 2.60 H new ATOM 0 HD13 LEU A 19 3.089 2.777 -15.051 1.00 2.60 H new ATOM 0 HD21 LEU A 19 5.784 2.834 -13.590 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.471 2.035 -15.149 1.00 1.37 H new ATOM 0 HD23 LEU A 19 6.782 3.230 -15.009 1.00 1.37 H new ATOM 281 N GLY A 20 2.149 3.785 -17.921 1.00 1.44 N ATOM 282 CA GLY A 20 0.659 3.767 -17.937 1.00 1.58 C ATOM 283 C GLY A 20 0.121 5.012 -17.229 1.00 1.59 C ATOM 284 O GLY A 20 0.836 5.970 -17.010 1.00 1.62 O ATOM 0 H GLY A 20 2.581 4.514 -18.488 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.297 3.736 -18.965 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.291 2.868 -17.442 1.00 1.58 H new ATOM 288 N PRO A 21 -1.137 4.995 -16.877 1.00 1.60 N ATOM 289 CA PRO A 21 -1.797 6.136 -16.182 1.00 1.60 C ATOM 290 C PRO A 21 -1.419 6.213 -14.700 1.00 1.43 C ATOM 291 O PRO A 21 -1.802 7.129 -14.000 1.00 1.67 O ATOM 292 CB PRO A 21 -3.289 5.838 -16.338 1.00 1.68 C ATOM 293 CG PRO A 21 -3.387 4.356 -16.490 1.00 1.70 C ATOM 294 CD PRO A 21 -2.069 3.879 -17.105 1.00 1.63 C ATOM 0 HA PRO A 21 -1.496 7.095 -16.603 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.850 6.181 -15.469 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.702 6.350 -17.207 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.556 3.880 -15.524 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.229 4.089 -17.129 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.717 2.963 -16.630 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.180 3.665 -18.168 1.00 1.63 H new ATOM 302 N TRP A 22 -0.671 5.259 -14.217 1.00 1.30 N ATOM 303 CA TRP A 22 -0.273 5.283 -12.782 1.00 1.15 C ATOM 304 C TRP A 22 0.659 6.472 -12.532 1.00 1.24 C ATOM 305 O TRP A 22 0.936 7.252 -13.421 1.00 1.48 O ATOM 306 CB TRP A 22 0.455 3.983 -12.432 1.00 1.19 C ATOM 307 CG TRP A 22 -0.551 2.912 -12.151 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.619 2.627 -12.931 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.602 1.980 -11.031 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.324 1.584 -12.360 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.737 1.149 -11.188 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.215 1.778 -9.905 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.050 0.152 -10.261 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.095 0.778 -8.970 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.225 -0.034 -9.147 1.00 2.39 C ATOM 0 H TRP A 22 -0.319 4.466 -14.753 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.163 5.380 -12.160 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.102 3.682 -13.256 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.095 4.134 -11.562 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.878 3.132 -13.850 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.175 1.184 -12.756 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.088 2.397 -9.758 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.921 -0.470 -10.403 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.541 0.633 -8.109 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.458 -0.802 -8.424 1.00 2.39 H new ATOM 326 N SER A 23 1.143 6.615 -11.328 1.00 1.20 N ATOM 327 CA SER A 23 2.056 7.752 -11.024 1.00 1.36 C ATOM 328 C SER A 23 3.262 7.235 -10.239 1.00 1.28 C ATOM 329 O SER A 23 3.270 6.119 -9.761 1.00 1.33 O ATOM 330 CB SER A 23 1.312 8.795 -10.189 1.00 1.45 C ATOM 331 OG SER A 23 0.690 9.734 -11.057 1.00 1.64 O ATOM 0 H SER A 23 0.946 5.994 -10.543 1.00 1.20 H new ATOM 0 HA SER A 23 2.394 8.208 -11.954 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.563 8.310 -9.563 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.006 9.304 -9.520 1.00 1.45 H new ATOM 0 HG SER A 23 0.211 10.403 -10.525 1.00 1.64 H new ATOM 337 N LEU A 24 4.286 8.035 -10.104 1.00 1.31 N ATOM 338 CA LEU A 24 5.486 7.577 -9.353 1.00 1.25 C ATOM 339 C LEU A 24 6.547 8.681 -9.347 1.00 1.30 C ATOM 340 O LEU A 24 6.726 9.388 -10.318 1.00 1.47 O ATOM 341 CB LEU A 24 6.057 6.323 -10.016 1.00 1.40 C ATOM 342 CG LEU A 24 6.030 6.483 -11.538 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.135 7.446 -11.978 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.257 5.116 -12.184 1.00 2.05 C ATOM 0 H LEU A 24 4.342 8.981 -10.480 1.00 1.31 H new ATOM 0 HA LEU A 24 5.201 7.348 -8.326 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.079 6.155 -9.677 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.476 5.449 -9.723 1.00 1.40 H new ATOM 0 HG LEU A 24 5.065 6.884 -11.847 1.00 1.44 H new ATOM 0 HD11 LEU A 24 7.111 7.556 -13.062 1.00 2.02 H new ATOM 0 HD12 LEU A 24 6.978 8.418 -11.511 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.104 7.050 -11.675 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.240 5.219 -13.269 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.224 4.722 -11.872 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.469 4.431 -11.872 1.00 2.05 H new ATOM 356 N TYR A 25 7.250 8.829 -8.258 1.00 1.23 N ATOM 357 CA TYR A 25 8.298 9.885 -8.180 1.00 1.38 C ATOM 358 C TYR A 25 8.985 9.821 -6.815 1.00 1.34 C ATOM 359 O TYR A 25 8.577 9.083 -5.940 1.00 1.42 O ATOM 360 CB TYR A 25 7.649 11.261 -8.355 1.00 1.72 C ATOM 361 CG TYR A 25 7.115 11.743 -7.026 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.504 10.841 -6.147 1.00 1.62 C ATOM 363 CD2 TYR A 25 7.233 13.093 -6.673 1.00 1.22 C ATOM 364 CE1 TYR A 25 6.010 11.288 -4.916 1.00 1.57 C ATOM 365 CE2 TYR A 25 6.738 13.540 -5.441 1.00 1.27 C ATOM 366 CZ TYR A 25 6.127 12.637 -4.562 1.00 1.08 C ATOM 367 OH TYR A 25 5.641 13.078 -3.349 1.00 1.63 O ATOM 0 H TYR A 25 7.143 8.262 -7.417 1.00 1.23 H new ATOM 0 HA TYR A 25 9.034 9.725 -8.968 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.378 11.971 -8.744 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.840 11.203 -9.084 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.414 9.800 -6.419 1.00 1.62 H new ATOM 0 HD2 TYR A 25 7.705 13.789 -7.350 1.00 1.22 H new ATOM 0 HE1 TYR A 25 5.538 10.591 -4.239 1.00 1.57 H new ATOM 0 HE2 TYR A 25 6.828 14.581 -5.169 1.00 1.27 H new ATOM 0 HH TYR A 25 5.804 14.040 -3.261 1.00 1.63 H new ATOM 377 N GLY A 26 10.016 10.596 -6.619 1.00 1.33 N ATOM 378 CA GLY A 26 10.717 10.586 -5.304 1.00 1.32 C ATOM 379 C GLY A 26 12.012 9.778 -5.402 1.00 1.25 C ATOM 380 O GLY A 26 12.982 10.065 -4.728 1.00 1.70 O ATOM 0 H GLY A 26 10.403 11.236 -7.313 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.939 11.607 -4.994 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.068 10.156 -4.541 1.00 1.32 H new ATOM 384 N THR A 27 12.043 8.767 -6.227 1.00 0.93 N ATOM 385 CA THR A 27 13.286 7.953 -6.346 1.00 0.90 C ATOM 386 C THR A 27 13.938 8.206 -7.706 1.00 0.92 C ATOM 387 O THR A 27 13.946 9.311 -8.211 1.00 0.97 O ATOM 388 CB THR A 27 12.928 6.465 -6.213 1.00 0.88 C ATOM 389 OG1 THR A 27 13.856 5.666 -6.931 1.00 0.73 O ATOM 390 CG2 THR A 27 11.518 6.226 -6.754 1.00 0.95 C ATOM 0 H THR A 27 11.268 8.471 -6.820 1.00 0.93 H new ATOM 0 HA THR A 27 13.985 8.233 -5.558 1.00 0.90 H new ATOM 0 HB THR A 27 12.967 6.187 -5.160 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.664 5.539 -6.392 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.266 5.170 -6.659 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.804 6.822 -6.185 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.477 6.515 -7.804 1.00 0.95 H new ATOM 398 N SER A 28 14.480 7.183 -8.299 1.00 1.12 N ATOM 399 CA SER A 28 15.132 7.340 -9.628 1.00 1.40 C ATOM 400 C SER A 28 14.106 7.072 -10.730 1.00 1.29 C ATOM 401 O SER A 28 13.382 6.096 -10.690 1.00 0.98 O ATOM 402 CB SER A 28 16.285 6.342 -9.752 1.00 1.80 C ATOM 403 OG SER A 28 15.834 5.053 -9.362 1.00 1.73 O ATOM 0 H SER A 28 14.500 6.237 -7.918 1.00 1.12 H new ATOM 0 HA SER A 28 15.518 8.354 -9.727 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.651 6.317 -10.779 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.120 6.653 -9.124 1.00 1.80 H new ATOM 0 HG SER A 28 14.874 4.974 -9.542 1.00 1.73 H new ATOM 409 N GLU A 29 14.037 7.923 -11.716 1.00 1.62 N ATOM 410 CA GLU A 29 13.058 7.701 -12.815 1.00 1.60 C ATOM 411 C GLU A 29 12.970 6.200 -13.111 1.00 1.23 C ATOM 412 O GLU A 29 13.876 5.626 -13.679 1.00 1.37 O ATOM 413 CB GLU A 29 13.529 8.438 -14.071 1.00 2.07 C ATOM 414 CG GLU A 29 14.905 7.913 -14.485 1.00 1.86 C ATOM 415 CD GLU A 29 15.800 9.088 -14.887 1.00 1.99 C ATOM 416 OE1 GLU A 29 15.912 10.016 -14.104 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.357 9.038 -15.971 1.00 2.35 O ATOM 0 H GLU A 29 14.614 8.759 -11.808 1.00 1.62 H new ATOM 0 HA GLU A 29 12.079 8.077 -12.518 1.00 1.60 H new ATOM 0 HB2 GLU A 29 12.814 8.292 -14.881 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.580 9.510 -13.879 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.359 7.362 -13.661 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.805 7.217 -15.318 1.00 1.86 H new ATOM 424 N PRO A 30 11.893 5.561 -12.726 1.00 0.95 N ATOM 425 CA PRO A 30 11.710 4.101 -12.958 1.00 0.81 C ATOM 426 C PRO A 30 12.095 3.702 -14.386 1.00 0.80 C ATOM 427 O PRO A 30 11.976 4.485 -15.308 1.00 0.86 O ATOM 428 CB PRO A 30 10.215 3.879 -12.726 1.00 0.94 C ATOM 429 CG PRO A 30 9.782 4.978 -11.813 1.00 1.13 C ATOM 430 CD PRO A 30 10.735 6.155 -12.036 1.00 1.10 C ATOM 0 HA PRO A 30 12.342 3.500 -12.304 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.664 3.910 -13.666 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.029 2.902 -12.279 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.753 5.271 -12.024 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.813 4.650 -10.774 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.270 6.935 -12.639 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.027 6.614 -11.092 1.00 1.10 H new ATOM 438 N VAL A 31 12.558 2.498 -14.580 1.00 0.80 N ATOM 439 CA VAL A 31 12.950 2.076 -15.956 1.00 0.82 C ATOM 440 C VAL A 31 12.446 0.658 -16.235 1.00 0.78 C ATOM 441 O VAL A 31 12.767 -0.276 -15.526 1.00 0.84 O ATOM 442 CB VAL A 31 14.474 2.107 -16.080 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.900 1.342 -17.334 1.00 0.99 C ATOM 444 CG2 VAL A 31 14.946 3.559 -16.186 1.00 1.05 C ATOM 0 H VAL A 31 12.681 1.793 -13.853 1.00 0.80 H new ATOM 0 HA VAL A 31 12.506 2.760 -16.679 1.00 0.82 H new ATOM 0 HB VAL A 31 14.920 1.641 -15.201 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.986 1.364 -17.422 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.563 0.308 -17.262 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.455 1.808 -18.213 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.032 3.583 -16.274 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.500 4.023 -17.066 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.642 4.106 -15.294 1.00 1.05 H new ATOM 454 N PHE A 32 11.670 0.490 -17.273 1.00 0.74 N ATOM 455 CA PHE A 32 11.155 -0.867 -17.612 1.00 0.77 C ATOM 456 C PHE A 32 12.260 -1.672 -18.298 1.00 0.87 C ATOM 457 O PHE A 32 12.710 -1.338 -19.376 1.00 1.19 O ATOM 458 CB PHE A 32 9.943 -0.746 -18.541 1.00 0.78 C ATOM 459 CG PHE A 32 10.048 0.515 -19.366 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.843 0.540 -20.519 1.00 1.63 C ATOM 461 CD2 PHE A 32 9.342 1.661 -18.979 1.00 1.50 C ATOM 462 CE1 PHE A 32 10.932 1.711 -21.282 1.00 1.82 C ATOM 463 CE2 PHE A 32 9.430 2.831 -19.742 1.00 1.78 C ATOM 464 CZ PHE A 32 10.225 2.855 -20.894 1.00 1.56 C ATOM 0 H PHE A 32 11.371 1.236 -17.901 1.00 0.74 H new ATOM 0 HA PHE A 32 10.850 -1.378 -16.699 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.888 -1.615 -19.196 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.025 -0.731 -17.954 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.387 -0.343 -20.819 1.00 1.63 H new ATOM 0 HD2 PHE A 32 8.729 1.642 -18.090 1.00 1.50 H new ATOM 0 HE1 PHE A 32 11.546 1.731 -22.170 1.00 1.82 H new ATOM 0 HE2 PHE A 32 8.885 3.714 -19.442 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.293 3.757 -21.484 1.00 1.56 H new ATOM 474 N ALA A 33 12.705 -2.730 -17.676 1.00 0.77 N ATOM 475 CA ALA A 33 13.786 -3.553 -18.287 1.00 0.84 C ATOM 476 C ALA A 33 13.186 -4.510 -19.319 1.00 0.67 C ATOM 477 O ALA A 33 12.300 -4.153 -20.071 1.00 0.92 O ATOM 478 CB ALA A 33 14.491 -4.358 -17.193 1.00 1.17 C ATOM 0 H ALA A 33 12.367 -3.059 -16.772 1.00 0.77 H new ATOM 0 HA ALA A 33 14.505 -2.898 -18.780 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.283 -4.961 -17.638 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.923 -3.676 -16.460 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.771 -5.011 -16.700 1.00 1.17 H new ATOM 484 N ASP A 34 13.668 -5.722 -19.367 1.00 0.77 N ATOM 485 CA ASP A 34 13.135 -6.703 -20.353 1.00 0.85 C ATOM 486 C ASP A 34 11.648 -6.952 -20.094 1.00 0.84 C ATOM 487 O ASP A 34 11.069 -7.886 -20.612 1.00 0.99 O ATOM 488 CB ASP A 34 13.902 -8.021 -20.224 1.00 1.13 C ATOM 489 CG ASP A 34 14.029 -8.676 -21.601 1.00 1.54 C ATOM 490 OD1 ASP A 34 13.007 -8.885 -22.232 1.00 1.78 O ATOM 491 OD2 ASP A 34 15.147 -8.956 -22.000 1.00 2.21 O ATOM 0 H ASP A 34 14.410 -6.076 -18.764 1.00 0.77 H new ATOM 0 HA ASP A 34 13.259 -6.302 -21.359 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.891 -7.839 -19.804 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.383 -8.690 -19.538 1.00 1.13 H new ATOM 496 N GLY A 35 11.020 -6.126 -19.302 1.00 0.84 N ATOM 497 CA GLY A 35 9.569 -6.328 -19.024 1.00 1.02 C ATOM 498 C GLY A 35 9.257 -5.946 -17.576 1.00 0.90 C ATOM 499 O GLY A 35 8.116 -5.951 -17.157 1.00 1.19 O ATOM 0 H GLY A 35 11.446 -5.324 -18.837 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.972 -5.722 -19.706 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.298 -7.369 -19.201 1.00 1.02 H new ATOM 503 N ARG A 36 10.255 -5.614 -16.804 1.00 0.66 N ATOM 504 CA ARG A 36 10.000 -5.235 -15.386 1.00 0.63 C ATOM 505 C ARG A 36 10.522 -3.819 -15.132 1.00 0.62 C ATOM 506 O ARG A 36 11.448 -3.363 -15.773 1.00 0.68 O ATOM 507 CB ARG A 36 10.715 -6.213 -14.452 1.00 0.70 C ATOM 508 CG ARG A 36 11.866 -6.888 -15.199 1.00 1.16 C ATOM 509 CD ARG A 36 12.891 -7.411 -14.190 1.00 1.40 C ATOM 510 NE ARG A 36 14.123 -6.576 -14.254 1.00 2.02 N ATOM 511 CZ ARG A 36 15.005 -6.639 -13.295 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.808 -7.435 -12.278 1.00 2.28 N ATOM 513 NH2 ARG A 36 16.084 -5.906 -13.351 1.00 2.91 N ATOM 0 H ARG A 36 11.233 -5.589 -17.093 1.00 0.66 H new ATOM 0 HA ARG A 36 8.928 -5.270 -15.194 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.096 -5.684 -13.578 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.013 -6.964 -14.089 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.487 -7.709 -15.808 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.338 -6.179 -15.879 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.473 -7.384 -13.184 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.133 -8.451 -14.407 1.00 1.40 H new ATOM 0 HE ARG A 36 14.277 -5.955 -15.048 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.965 -8.007 -12.234 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.498 -7.484 -11.528 1.00 2.28 H new ATOM 0 HH21 ARG A 36 16.237 -5.284 -14.145 1.00 2.91 H new ATOM 0 HH22 ARG A 36 16.774 -5.955 -12.601 1.00 2.91 H new ATOM 527 N MET A 37 9.935 -3.123 -14.198 1.00 0.63 N ATOM 528 CA MET A 37 10.400 -1.739 -13.899 1.00 0.67 C ATOM 529 C MET A 37 10.935 -1.683 -12.470 1.00 0.68 C ATOM 530 O MET A 37 10.330 -2.194 -11.549 1.00 0.67 O ATOM 531 CB MET A 37 9.231 -0.763 -14.049 1.00 0.71 C ATOM 532 CG MET A 37 9.739 0.671 -13.883 1.00 0.75 C ATOM 533 SD MET A 37 8.354 1.824 -14.057 1.00 0.88 S ATOM 534 CE MET A 37 7.709 1.659 -12.375 1.00 0.93 C ATOM 0 H MET A 37 9.155 -3.452 -13.630 1.00 0.63 H new ATOM 0 HA MET A 37 11.192 -1.462 -14.595 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.765 -0.884 -15.027 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.466 -0.978 -13.303 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.207 0.792 -12.906 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.502 0.887 -14.631 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.652 1.396 -12.415 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.258 0.878 -11.850 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.828 2.604 -11.845 1.00 0.93 H new ATOM 544 N CYS A 38 12.070 -1.069 -12.276 1.00 0.73 N ATOM 545 CA CYS A 38 12.640 -0.991 -10.904 1.00 0.78 C ATOM 546 C CYS A 38 13.023 0.451 -10.574 1.00 0.89 C ATOM 547 O CYS A 38 13.309 1.247 -11.449 1.00 0.88 O ATOM 548 CB CYS A 38 13.882 -1.882 -10.813 1.00 0.79 C ATOM 549 SG CYS A 38 13.841 -2.831 -9.270 1.00 1.06 S ATOM 0 H CYS A 38 12.624 -0.620 -13.005 1.00 0.73 H new ATOM 0 HA CYS A 38 11.891 -1.333 -10.190 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.919 -2.559 -11.667 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.784 -1.271 -10.851 1.00 0.79 H new ATOM 554 N VAL A 39 13.037 0.784 -9.313 1.00 1.04 N ATOM 555 CA VAL A 39 13.408 2.165 -8.900 1.00 1.18 C ATOM 556 C VAL A 39 14.578 2.085 -7.917 1.00 1.37 C ATOM 557 O VAL A 39 14.630 1.208 -7.075 1.00 1.26 O ATOM 558 CB VAL A 39 12.217 2.837 -8.216 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.221 3.313 -9.274 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.530 1.832 -7.289 1.00 1.26 C ATOM 0 H VAL A 39 12.805 0.153 -8.546 1.00 1.04 H new ATOM 0 HA VAL A 39 13.692 2.748 -9.776 1.00 1.18 H new ATOM 0 HB VAL A 39 12.567 3.691 -7.636 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.372 3.792 -8.785 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.708 4.028 -9.937 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.871 2.459 -9.855 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.681 2.309 -6.800 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.181 0.979 -7.871 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.238 1.491 -6.534 1.00 1.26 H new ATOM 570 N ASP A 40 15.516 2.986 -8.015 1.00 1.71 N ATOM 571 CA ASP A 40 16.680 2.953 -7.086 1.00 1.97 C ATOM 572 C ASP A 40 16.284 3.565 -5.741 1.00 1.61 C ATOM 573 O ASP A 40 16.097 4.760 -5.624 1.00 2.31 O ATOM 574 CB ASP A 40 17.836 3.753 -7.689 1.00 3.21 C ATOM 575 CG ASP A 40 18.162 3.208 -9.081 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.161 1.998 -9.238 1.00 4.79 O ATOM 577 OD2 ASP A 40 18.409 4.010 -9.966 1.00 4.39 O ATOM 0 H ASP A 40 15.527 3.743 -8.698 1.00 1.71 H new ATOM 0 HA ASP A 40 16.991 1.919 -6.934 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.568 4.808 -7.753 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.713 3.686 -7.046 1.00 3.21 H new ATOM 582 N LEU A 41 16.160 2.757 -4.722 1.00 1.25 N ATOM 583 CA LEU A 41 15.782 3.295 -3.384 1.00 1.86 C ATOM 584 C LEU A 41 16.925 3.058 -2.397 1.00 1.67 C ATOM 585 O LEU A 41 16.863 2.175 -1.565 1.00 1.20 O ATOM 586 CB LEU A 41 14.525 2.580 -2.882 1.00 2.45 C ATOM 587 CG LEU A 41 13.284 3.233 -3.491 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.450 3.330 -5.008 1.00 2.65 C ATOM 589 CD2 LEU A 41 12.055 2.382 -3.168 1.00 3.54 C ATOM 0 H LEU A 41 16.304 1.748 -4.759 1.00 1.25 H new ATOM 0 HA LEU A 41 15.586 4.364 -3.467 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.562 1.525 -3.152 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.477 2.629 -1.794 1.00 2.45 H new ATOM 0 HG LEU A 41 13.157 4.233 -3.075 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.565 3.796 -5.442 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.328 3.933 -5.240 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.576 2.331 -5.425 1.00 2.65 H new ATOM 0 HD21 LEU A 41 11.168 2.845 -3.601 1.00 3.54 H new ATOM 0 HD22 LEU A 41 12.184 1.384 -3.586 1.00 3.54 H new ATOM 0 HD23 LEU A 41 11.936 2.310 -2.087 1.00 3.54 H new ATOM 601 N PRO A 42 17.963 3.847 -2.490 1.00 2.30 N ATOM 602 CA PRO A 42 19.147 3.732 -1.593 1.00 2.32 C ATOM 603 C PRO A 42 18.885 4.333 -0.209 1.00 1.85 C ATOM 604 O PRO A 42 18.707 3.625 0.762 1.00 2.18 O ATOM 605 CB PRO A 42 20.227 4.531 -2.324 1.00 3.11 C ATOM 606 CG PRO A 42 19.486 5.546 -3.130 1.00 3.74 C ATOM 607 CD PRO A 42 18.121 4.938 -3.466 1.00 3.24 C ATOM 0 HA PRO A 42 19.419 2.693 -1.408 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.908 5.009 -1.619 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.830 3.885 -2.962 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.368 6.473 -2.569 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.034 5.791 -4.040 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.323 5.675 -3.373 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.092 4.564 -4.490 1.00 3.24 H new ATOM 615 N GLY A 43 18.863 5.633 -0.112 1.00 1.69 N ATOM 616 CA GLY A 43 18.614 6.279 1.207 1.00 1.65 C ATOM 617 C GLY A 43 18.479 7.792 1.020 1.00 1.62 C ATOM 618 O GLY A 43 18.172 8.269 -0.054 1.00 2.03 O ATOM 0 H GLY A 43 19.007 6.277 -0.890 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.706 5.875 1.655 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.433 6.059 1.892 1.00 1.65 H new ATOM 622 N GLY A 44 18.709 8.549 2.058 1.00 1.61 N ATOM 623 CA GLY A 44 18.594 10.030 1.938 1.00 2.13 C ATOM 624 C GLY A 44 17.118 10.434 1.945 1.00 2.06 C ATOM 625 O GLY A 44 16.785 11.602 1.930 1.00 2.41 O ATOM 0 H GLY A 44 18.971 8.207 2.982 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.117 10.513 2.763 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.069 10.368 1.017 1.00 2.13 H new ATOM 629 N GLN A 45 16.231 9.476 1.968 1.00 1.86 N ATOM 630 CA GLN A 45 14.779 9.806 1.974 1.00 1.96 C ATOM 631 C GLN A 45 14.238 9.698 3.402 1.00 1.90 C ATOM 632 O GLN A 45 13.433 8.841 3.708 1.00 1.92 O ATOM 633 CB GLN A 45 14.034 8.824 1.070 1.00 2.10 C ATOM 634 CG GLN A 45 13.979 9.381 -0.354 1.00 2.29 C ATOM 635 CD GLN A 45 12.716 10.229 -0.522 1.00 2.34 C ATOM 636 OE1 GLN A 45 11.625 9.703 -0.623 1.00 2.96 O ATOM 637 NE2 GLN A 45 12.818 11.530 -0.556 1.00 2.07 N ATOM 0 H GLN A 45 16.450 8.480 1.983 1.00 1.86 H new ATOM 0 HA GLN A 45 14.633 10.822 1.607 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.536 7.857 1.074 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.024 8.660 1.447 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.864 9.984 -0.554 1.00 2.29 H new ATOM 0 HG3 GLN A 45 13.980 8.564 -1.076 1.00 2.29 H new ATOM 0 HE21 GLN A 45 13.733 11.972 -0.471 1.00 2.07 H new ATOM 0 HE22 GLN A 45 11.982 12.104 -0.667 1.00 2.07 H new ATOM 646 N GLY A 46 14.673 10.561 4.278 1.00 2.04 N ATOM 647 CA GLY A 46 14.181 10.507 5.684 1.00 2.08 C ATOM 648 C GLY A 46 12.674 10.764 5.710 1.00 2.01 C ATOM 649 O GLY A 46 12.187 11.580 6.467 1.00 2.08 O ATOM 0 H GLY A 46 15.347 11.301 4.082 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.402 9.533 6.120 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.698 11.252 6.290 1.00 2.08 H new ATOM 653 N ASN A 47 11.932 10.074 4.888 1.00 2.09 N ATOM 654 CA ASN A 47 10.456 10.280 4.865 1.00 2.14 C ATOM 655 C ASN A 47 9.803 9.187 4.017 1.00 1.80 C ATOM 656 O ASN A 47 9.622 9.339 2.824 1.00 1.63 O ATOM 657 CB ASN A 47 10.142 11.650 4.263 1.00 2.60 C ATOM 658 CG ASN A 47 11.228 12.025 3.253 1.00 2.84 C ATOM 659 OD1 ASN A 47 11.804 11.085 2.553 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 11.557 13.185 3.100 1.00 3.61 N flip ATOM 0 H ASN A 47 12.284 9.377 4.232 1.00 2.09 H new ATOM 0 HA ASN A 47 10.066 10.233 5.882 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.168 11.630 3.775 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.088 12.401 5.051 1.00 2.60 H new ATOM 0 HD21 ASN A 47 11.107 13.919 3.647 1.00 3.61 H new ATOM 0 HD22 ASN A 47 12.283 13.424 2.425 1.00 3.61 H new ATOM 667 N PRO A 48 9.456 8.090 4.633 1.00 1.85 N ATOM 668 CA PRO A 48 8.811 6.939 3.936 1.00 1.74 C ATOM 669 C PRO A 48 7.620 7.372 3.076 1.00 1.36 C ATOM 670 O PRO A 48 6.989 6.564 2.425 1.00 1.19 O ATOM 671 CB PRO A 48 8.343 6.035 5.077 1.00 2.19 C ATOM 672 CG PRO A 48 9.222 6.367 6.237 1.00 2.36 C ATOM 673 CD PRO A 48 9.641 7.828 6.069 1.00 2.21 C ATOM 0 HA PRO A 48 9.500 6.450 3.247 1.00 1.74 H new ATOM 0 HB2 PRO A 48 7.295 6.215 5.315 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.432 4.983 4.806 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.691 6.223 7.178 1.00 2.36 H new ATOM 0 HG3 PRO A 48 10.095 5.715 6.260 1.00 2.36 H new ATOM 0 HD2 PRO A 48 9.027 8.492 6.678 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.676 7.984 6.373 1.00 2.21 H new ATOM 681 N TRP A 49 7.308 8.639 3.067 1.00 1.49 N ATOM 682 CA TRP A 49 6.159 9.114 2.248 1.00 1.39 C ATOM 683 C TRP A 49 6.637 10.186 1.268 1.00 1.17 C ATOM 684 O TRP A 49 5.921 11.115 0.950 1.00 1.45 O ATOM 685 CB TRP A 49 5.084 9.700 3.168 1.00 1.79 C ATOM 686 CG TRP A 49 5.729 10.264 4.394 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.684 9.701 5.623 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.508 11.488 4.532 1.00 2.46 C ATOM 689 NE1 TRP A 49 6.386 10.499 6.507 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.914 11.612 5.883 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.900 12.489 3.628 1.00 3.27 C ATOM 692 CZ2 TRP A 49 7.681 12.694 6.319 1.00 2.90 C ATOM 693 CZ3 TRP A 49 7.670 13.578 4.062 1.00 3.87 C ATOM 694 CH2 TRP A 49 8.061 13.682 5.404 1.00 3.62 C ATOM 0 H TRP A 49 7.798 9.364 3.591 1.00 1.49 H new ATOM 0 HA TRP A 49 5.740 8.277 1.690 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.528 10.479 2.646 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.366 8.927 3.444 1.00 1.79 H new ATOM 0 HD1 TRP A 49 5.181 8.778 5.873 1.00 1.69 H new ATOM 0 HE1 TRP A 49 6.500 10.291 7.499 1.00 1.97 H new ATOM 0 HE3 TRP A 49 6.606 12.420 2.591 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.979 12.768 7.355 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 7.964 14.342 3.357 1.00 3.87 H new ATOM 0 HH2 TRP A 49 8.654 14.523 5.731 1.00 3.62 H new ATOM 705 N ASP A 50 7.843 10.063 0.782 1.00 1.07 N ATOM 706 CA ASP A 50 8.367 11.074 -0.180 1.00 1.36 C ATOM 707 C ASP A 50 8.453 10.458 -1.578 1.00 1.21 C ATOM 708 O ASP A 50 8.510 11.158 -2.570 1.00 1.27 O ATOM 709 CB ASP A 50 9.761 11.524 0.262 1.00 1.73 C ATOM 710 CG ASP A 50 9.638 12.733 1.193 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.685 12.776 1.952 1.00 2.38 O ATOM 712 OD2 ASP A 50 10.500 13.595 1.128 1.00 2.14 O ATOM 0 H ASP A 50 8.488 9.306 1.010 1.00 1.07 H new ATOM 0 HA ASP A 50 7.695 11.932 -0.202 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.272 10.709 0.774 1.00 1.73 H new ATOM 0 HB3 ASP A 50 10.364 11.782 -0.608 1.00 1.73 H new ATOM 717 N ALA A 51 8.465 9.155 -1.668 1.00 1.09 N ATOM 718 CA ALA A 51 8.552 8.508 -3.007 1.00 1.02 C ATOM 719 C ALA A 51 7.628 7.288 -3.052 1.00 0.89 C ATOM 720 O ALA A 51 6.993 6.941 -2.077 1.00 0.87 O ATOM 721 CB ALA A 51 9.993 8.064 -3.265 1.00 1.11 C ATOM 0 H ALA A 51 8.419 8.514 -0.876 1.00 1.09 H new ATOM 0 HA ALA A 51 8.246 9.221 -3.773 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.058 7.590 -4.245 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.652 8.932 -3.237 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.298 7.353 -2.497 1.00 1.11 H new ATOM 727 N GLY A 52 7.549 6.636 -4.181 1.00 0.86 N ATOM 728 CA GLY A 52 6.666 5.441 -4.291 1.00 0.86 C ATOM 729 C GLY A 52 5.754 5.587 -5.510 1.00 0.87 C ATOM 730 O GLY A 52 5.705 6.628 -6.137 1.00 0.94 O ATOM 0 H GLY A 52 8.058 6.880 -5.031 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.269 4.538 -4.382 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.067 5.335 -3.387 1.00 0.86 H new ATOM 734 N LEU A 53 5.028 4.557 -5.852 1.00 0.83 N ATOM 735 CA LEU A 53 4.118 4.650 -7.028 1.00 0.84 C ATOM 736 C LEU A 53 2.750 5.151 -6.570 1.00 0.79 C ATOM 737 O LEU A 53 2.547 5.452 -5.410 1.00 0.78 O ATOM 738 CB LEU A 53 3.951 3.278 -7.682 1.00 0.85 C ATOM 739 CG LEU A 53 5.256 2.485 -7.598 1.00 0.90 C ATOM 740 CD1 LEU A 53 5.126 1.229 -8.459 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.419 3.335 -8.118 1.00 0.96 C ATOM 0 H LEU A 53 5.026 3.658 -5.369 1.00 0.83 H new ATOM 0 HA LEU A 53 4.549 5.341 -7.752 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.151 2.727 -7.187 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.658 3.398 -8.725 1.00 0.85 H new ATOM 0 HG LEU A 53 5.450 2.212 -6.561 1.00 0.90 H new ATOM 0 HD11 LEU A 53 6.051 0.655 -8.407 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.300 0.620 -8.092 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.934 1.515 -9.493 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.345 2.763 -8.055 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.233 3.610 -9.156 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.508 4.238 -7.514 1.00 0.96 H new ATOM 753 N VAL A 54 1.809 5.241 -7.467 1.00 0.79 N ATOM 754 CA VAL A 54 0.455 5.723 -7.072 1.00 0.78 C ATOM 755 C VAL A 54 -0.560 5.380 -8.165 1.00 0.80 C ATOM 756 O VAL A 54 -0.213 4.892 -9.223 1.00 0.90 O ATOM 757 CB VAL A 54 0.479 7.243 -6.868 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.036 7.581 -5.468 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.906 7.780 -7.021 1.00 0.92 C ATOM 0 H VAL A 54 1.917 5.003 -8.453 1.00 0.79 H new ATOM 0 HA VAL A 54 0.168 5.235 -6.141 1.00 0.78 H new ATOM 0 HB VAL A 54 -0.159 7.706 -7.621 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.018 8.661 -5.325 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.058 7.217 -5.358 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.600 7.106 -4.722 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.906 8.860 -6.873 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.552 7.312 -6.278 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.276 7.550 -8.020 1.00 0.92 H new ATOM 769 N TYR A 55 -1.815 5.640 -7.914 1.00 0.78 N ATOM 770 CA TYR A 55 -2.866 5.340 -8.927 1.00 0.82 C ATOM 771 C TYR A 55 -4.242 5.671 -8.347 1.00 0.81 C ATOM 772 O TYR A 55 -4.586 5.251 -7.260 1.00 1.06 O ATOM 773 CB TYR A 55 -2.814 3.857 -9.299 1.00 0.83 C ATOM 774 CG TYR A 55 -4.027 3.501 -10.125 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.345 4.252 -11.263 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.834 2.419 -9.752 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.469 3.921 -12.029 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.958 2.088 -10.518 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.276 2.839 -11.657 1.00 1.37 C ATOM 780 OH TYR A 55 -7.385 2.513 -12.412 1.00 1.61 O ATOM 0 H TYR A 55 -2.159 6.050 -7.045 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.691 5.943 -9.818 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.904 3.644 -9.860 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.783 3.246 -8.397 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.723 5.087 -11.550 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.589 1.840 -8.874 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.714 4.500 -12.907 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.580 1.253 -10.231 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.833 1.737 -12.016 1.00 1.61 H new ATOM 790 N ASN A 56 -5.032 6.424 -9.063 1.00 0.93 N ATOM 791 CA ASN A 56 -6.383 6.783 -8.557 1.00 1.01 C ATOM 792 C ASN A 56 -7.449 6.089 -9.408 1.00 1.28 C ATOM 793 O ASN A 56 -7.592 6.360 -10.583 1.00 2.04 O ATOM 794 CB ASN A 56 -6.566 8.299 -8.645 1.00 1.81 C ATOM 795 CG ASN A 56 -6.099 8.948 -7.340 1.00 2.22 C ATOM 796 OD1 ASN A 56 -5.204 8.343 -6.609 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -6.555 10.015 -6.982 1.00 2.47 N flip ATOM 0 H ASN A 56 -4.797 6.806 -9.979 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.484 6.461 -7.520 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -5.996 8.696 -9.485 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.613 8.539 -8.828 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -7.255 10.488 -7.554 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -6.238 10.438 -6.110 1.00 2.47 H new ATOM 804 N GLY A 57 -8.198 5.196 -8.822 1.00 1.18 N ATOM 805 CA GLY A 57 -9.253 4.485 -9.598 1.00 1.77 C ATOM 806 C GLY A 57 -9.642 3.197 -8.869 1.00 1.64 C ATOM 807 O GLY A 57 -9.331 2.107 -9.308 1.00 2.48 O ATOM 0 H GLY A 57 -8.125 4.928 -7.841 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.126 5.126 -9.717 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.889 4.253 -10.599 1.00 1.77 H new ATOM 811 N VAL A 58 -10.318 3.314 -7.759 1.00 1.34 N ATOM 812 CA VAL A 58 -10.724 2.096 -7.004 1.00 1.99 C ATOM 813 C VAL A 58 -11.703 2.488 -5.894 1.00 1.78 C ATOM 814 O VAL A 58 -11.303 2.879 -4.816 1.00 1.95 O ATOM 815 CB VAL A 58 -9.486 1.448 -6.380 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.535 2.538 -5.881 1.00 3.79 C ATOM 817 CG2 VAL A 58 -9.909 0.566 -5.205 1.00 2.88 C ATOM 0 H VAL A 58 -10.606 4.200 -7.343 1.00 1.34 H new ATOM 0 HA VAL A 58 -11.204 1.391 -7.683 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.980 0.839 -7.129 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.653 2.076 -5.437 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.232 3.168 -6.718 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.041 3.148 -5.133 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -9.027 0.104 -4.761 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -10.416 1.175 -4.457 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -10.586 -0.211 -5.559 1.00 2.88 H new ATOM 827 N PRO A 59 -12.980 2.385 -6.156 1.00 1.85 N ATOM 828 CA PRO A 59 -14.033 2.736 -5.164 1.00 1.84 C ATOM 829 C PRO A 59 -14.248 1.626 -4.132 1.00 1.90 C ATOM 830 O PRO A 59 -14.466 0.481 -4.476 1.00 2.05 O ATOM 831 CB PRO A 59 -15.284 2.925 -6.022 1.00 2.07 C ATOM 832 CG PRO A 59 -15.074 2.075 -7.233 1.00 2.39 C ATOM 833 CD PRO A 59 -13.561 1.923 -7.427 1.00 2.40 C ATOM 0 HA PRO A 59 -13.768 3.618 -4.581 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -16.180 2.621 -5.481 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.417 3.972 -6.296 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.545 1.100 -7.105 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.529 2.536 -8.110 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -13.289 0.888 -7.635 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -13.206 2.521 -8.267 1.00 2.40 H new ATOM 841 N VAL A 60 -14.185 1.955 -2.871 1.00 2.10 N ATOM 842 CA VAL A 60 -14.382 0.917 -1.820 1.00 2.46 C ATOM 843 C VAL A 60 -15.811 0.999 -1.280 1.00 2.53 C ATOM 844 O VAL A 60 -16.321 2.067 -1.003 1.00 2.50 O ATOM 845 CB VAL A 60 -13.392 1.157 -0.679 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.560 0.065 0.380 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.964 1.119 -1.227 1.00 2.93 C ATOM 0 H VAL A 60 -14.006 2.897 -2.523 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.214 -0.071 -2.249 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.584 2.132 -0.230 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.855 0.235 1.193 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.577 0.090 0.770 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.368 -0.910 -0.069 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.258 1.290 -0.414 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.772 0.144 -1.675 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.843 1.896 -1.982 1.00 2.93 H new ATOM 857 N GLY A 61 -16.460 -0.123 -1.126 1.00 2.83 N ATOM 858 CA GLY A 61 -17.855 -0.111 -0.601 1.00 3.05 C ATOM 859 C GLY A 61 -17.892 -0.818 0.755 1.00 2.72 C ATOM 860 O GLY A 61 -17.881 -2.030 0.836 1.00 2.61 O ATOM 0 H GLY A 61 -16.085 -1.047 -1.341 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.208 0.915 -0.499 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.524 -0.610 -1.302 1.00 3.05 H new ATOM 864 N GLU A 62 -17.935 -0.069 1.823 1.00 3.03 N ATOM 865 CA GLU A 62 -17.970 -0.695 3.174 1.00 2.96 C ATOM 866 C GLU A 62 -18.791 -1.986 3.121 1.00 2.29 C ATOM 867 O GLU A 62 -19.774 -2.079 2.412 1.00 2.02 O ATOM 868 CB GLU A 62 -18.611 0.274 4.169 1.00 4.03 C ATOM 869 CG GLU A 62 -19.196 -0.511 5.345 1.00 4.32 C ATOM 870 CD GLU A 62 -19.589 0.458 6.461 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.107 1.516 6.145 1.00 5.54 O ATOM 872 OE2 GLU A 62 -19.365 0.125 7.613 1.00 6.05 O ATOM 0 H GLU A 62 -17.947 0.951 1.818 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.953 -0.925 3.492 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.869 0.987 4.528 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.395 0.850 3.677 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -20.067 -1.079 5.019 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.466 -1.231 5.715 1.00 4.32 H new ATOM 879 N GLY A 63 -18.397 -2.982 3.868 1.00 2.54 N ATOM 880 CA GLY A 63 -19.158 -4.264 3.863 1.00 2.46 C ATOM 881 C GLY A 63 -18.501 -5.250 2.894 1.00 2.21 C ATOM 882 O GLY A 63 -18.624 -6.450 3.040 1.00 2.29 O ATOM 0 H GLY A 63 -17.582 -2.963 4.481 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.182 -4.688 4.867 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.192 -4.083 3.568 1.00 2.46 H new ATOM 886 N GLU A 64 -17.809 -4.757 1.904 1.00 2.23 N ATOM 887 CA GLU A 64 -17.152 -5.669 0.929 1.00 2.27 C ATOM 888 C GLU A 64 -15.646 -5.715 1.197 1.00 2.19 C ATOM 889 O GLU A 64 -15.104 -4.883 1.897 1.00 2.81 O ATOM 890 CB GLU A 64 -17.399 -5.152 -0.489 1.00 2.70 C ATOM 891 CG GLU A 64 -18.685 -5.771 -1.043 1.00 3.18 C ATOM 892 CD GLU A 64 -19.221 -4.901 -2.182 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.885 -3.729 -2.214 1.00 3.92 O ATOM 894 OE2 GLU A 64 -19.958 -5.423 -3.002 1.00 4.03 O ATOM 0 H GLU A 64 -17.671 -3.762 1.729 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.567 -6.671 1.034 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.480 -4.065 -0.482 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.555 -5.405 -1.131 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.489 -6.781 -1.404 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.431 -5.854 -0.253 1.00 3.18 H new ATOM 901 N SER A 65 -14.966 -6.682 0.643 1.00 1.71 N ATOM 902 CA SER A 65 -13.495 -6.783 0.863 1.00 1.83 C ATOM 903 C SER A 65 -12.777 -6.708 -0.487 1.00 1.49 C ATOM 904 O SER A 65 -13.238 -7.246 -1.474 1.00 1.87 O ATOM 905 CB SER A 65 -13.170 -8.115 1.539 1.00 2.37 C ATOM 906 OG SER A 65 -13.671 -8.100 2.870 1.00 2.91 O ATOM 0 H SER A 65 -15.366 -7.407 0.047 1.00 1.71 H new ATOM 0 HA SER A 65 -13.164 -5.963 1.501 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.615 -8.938 0.980 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.093 -8.280 1.545 1.00 2.37 H new ATOM 0 HG SER A 65 -13.466 -8.953 3.306 1.00 2.91 H new ATOM 912 N TYR A 66 -11.656 -6.041 -0.541 1.00 1.14 N ATOM 913 CA TYR A 66 -10.921 -5.929 -1.829 1.00 1.22 C ATOM 914 C TYR A 66 -9.650 -6.779 -1.774 1.00 1.63 C ATOM 915 O TYR A 66 -9.365 -7.427 -0.787 1.00 2.01 O ATOM 916 CB TYR A 66 -10.543 -4.469 -2.067 1.00 1.29 C ATOM 917 CG TYR A 66 -11.705 -3.741 -2.699 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.740 -3.247 -1.896 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.748 -3.562 -4.087 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.818 -2.573 -2.481 1.00 1.98 C ATOM 921 CE2 TYR A 66 -12.826 -2.887 -4.671 1.00 1.86 C ATOM 922 CZ TYR A 66 -13.862 -2.392 -3.869 1.00 1.87 C ATOM 923 OH TYR A 66 -14.924 -1.727 -4.445 1.00 2.38 O ATOM 0 H TYR A 66 -11.219 -5.570 0.251 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.556 -6.283 -2.641 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.273 -3.994 -1.124 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.668 -4.410 -2.715 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.707 -3.386 -0.826 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -10.950 -3.944 -4.706 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.617 -2.192 -1.862 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -12.859 -2.748 -5.741 1.00 1.86 H new ATOM 0 HH TYR A 66 -14.645 -0.822 -4.697 1.00 2.38 H new ATOM 933 N VAL A 67 -8.883 -6.773 -2.831 1.00 1.69 N ATOM 934 CA VAL A 67 -7.626 -7.575 -2.852 1.00 2.07 C ATOM 935 C VAL A 67 -6.624 -6.922 -3.807 1.00 2.20 C ATOM 936 O VAL A 67 -6.993 -6.368 -4.824 1.00 2.22 O ATOM 937 CB VAL A 67 -7.935 -8.994 -3.336 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.875 -9.961 -2.803 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.314 -9.420 -2.828 1.00 2.54 C ATOM 0 H VAL A 67 -9.074 -6.246 -3.683 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.203 -7.616 -1.848 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.927 -9.012 -4.426 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.097 -10.971 -3.149 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.892 -9.661 -3.167 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.880 -9.941 -1.713 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.533 -10.430 -3.173 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.323 -9.399 -1.738 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.070 -8.734 -3.210 1.00 2.54 H new ATOM 949 N LEU A 68 -5.359 -6.979 -3.490 1.00 2.36 N ATOM 950 CA LEU A 68 -4.340 -6.358 -4.383 1.00 2.59 C ATOM 951 C LEU A 68 -3.189 -7.340 -4.618 1.00 2.17 C ATOM 952 O LEU A 68 -2.478 -7.709 -3.703 1.00 2.07 O ATOM 953 CB LEU A 68 -3.796 -5.087 -3.727 1.00 3.01 C ATOM 954 CG LEU A 68 -3.214 -4.161 -4.798 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.244 -3.091 -5.162 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.952 -3.488 -4.256 1.00 3.61 C ATOM 0 H LEU A 68 -4.988 -7.428 -2.653 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.803 -6.110 -5.338 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.592 -4.577 -3.185 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.028 -5.343 -2.998 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.965 -4.743 -5.686 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.830 -2.432 -5.925 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.145 -3.569 -5.546 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.493 -2.509 -4.275 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.536 -2.828 -5.017 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.202 -2.906 -3.369 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.217 -4.249 -3.995 1.00 3.61 H new ATOM 968 N SER A 69 -2.994 -7.760 -5.839 1.00 1.98 N ATOM 969 CA SER A 69 -1.884 -8.709 -6.135 1.00 1.66 C ATOM 970 C SER A 69 -0.805 -7.975 -6.933 1.00 1.53 C ATOM 971 O SER A 69 -0.896 -7.842 -8.137 1.00 1.60 O ATOM 972 CB SER A 69 -2.420 -9.889 -6.946 1.00 1.82 C ATOM 973 OG SER A 69 -3.430 -9.428 -7.832 1.00 2.27 O ATOM 0 H SER A 69 -3.556 -7.486 -6.645 1.00 1.98 H new ATOM 0 HA SER A 69 -1.459 -9.085 -5.205 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.612 -10.356 -7.509 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.825 -10.650 -6.279 1.00 1.82 H new ATOM 0 HG SER A 69 -3.775 -10.181 -8.355 1.00 2.27 H new ATOM 979 N PHE A 70 0.209 -7.480 -6.273 1.00 1.38 N ATOM 980 CA PHE A 70 1.274 -6.740 -7.006 1.00 1.30 C ATOM 981 C PHE A 70 2.418 -7.677 -7.396 1.00 1.23 C ATOM 982 O PHE A 70 2.833 -8.521 -6.629 1.00 1.40 O ATOM 983 CB PHE A 70 1.815 -5.596 -6.144 1.00 1.34 C ATOM 984 CG PHE A 70 1.842 -6.003 -4.692 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.644 -6.209 -3.998 1.00 1.23 C ATOM 986 CD2 PHE A 70 3.068 -6.162 -4.036 1.00 1.96 C ATOM 987 CE1 PHE A 70 0.673 -6.576 -2.647 1.00 1.35 C ATOM 988 CE2 PHE A 70 3.097 -6.530 -2.686 1.00 2.01 C ATOM 989 CZ PHE A 70 1.899 -6.737 -1.992 1.00 1.48 C ATOM 0 H PHE A 70 0.344 -7.556 -5.265 1.00 1.38 H new ATOM 0 HA PHE A 70 0.835 -6.328 -7.915 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.819 -5.328 -6.472 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.191 -4.711 -6.269 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.302 -6.085 -4.504 1.00 1.23 H new ATOM 0 HD2 PHE A 70 3.992 -6.001 -4.572 1.00 1.96 H new ATOM 0 HE1 PHE A 70 -0.251 -6.735 -2.111 1.00 1.35 H new ATOM 0 HE2 PHE A 70 4.043 -6.654 -2.180 1.00 2.01 H new ATOM 0 HZ PHE A 70 1.921 -7.021 -0.950 1.00 1.48 H new ATOM 999 N THR A 71 2.940 -7.517 -8.581 1.00 1.13 N ATOM 1000 CA THR A 71 4.070 -8.377 -9.033 1.00 1.16 C ATOM 1001 C THR A 71 5.387 -7.657 -8.740 1.00 1.11 C ATOM 1002 O THR A 71 5.752 -6.725 -9.429 1.00 1.39 O ATOM 1003 CB THR A 71 3.958 -8.599 -10.543 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.384 -7.447 -11.139 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.081 -9.817 -10.832 1.00 1.80 C ATOM 0 H THR A 71 2.630 -6.822 -9.260 1.00 1.13 H new ATOM 0 HA THR A 71 4.038 -9.334 -8.512 1.00 1.16 H new ATOM 0 HB THR A 71 4.951 -8.775 -10.957 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.694 -6.646 -10.667 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.008 -9.966 -11.909 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.523 -10.701 -10.373 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.085 -9.654 -10.420 1.00 1.80 H new ATOM 1013 N ALA A 72 6.109 -8.066 -7.732 1.00 0.96 N ATOM 1014 CA ALA A 72 7.393 -7.369 -7.436 1.00 0.87 C ATOM 1015 C ALA A 72 8.129 -8.060 -6.287 1.00 0.81 C ATOM 1016 O ALA A 72 7.591 -8.907 -5.603 1.00 0.85 O ATOM 1017 CB ALA A 72 7.101 -5.919 -7.044 1.00 0.81 C ATOM 0 H ALA A 72 5.871 -8.839 -7.110 1.00 0.96 H new ATOM 0 HA ALA A 72 8.021 -7.400 -8.326 1.00 0.87 H new ATOM 0 HB1 ALA A 72 8.037 -5.405 -6.827 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.593 -5.415 -7.866 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.464 -5.902 -6.160 1.00 0.81 H new ATOM 1023 N SER A 73 9.361 -7.685 -6.073 1.00 0.75 N ATOM 1024 CA SER A 73 10.157 -8.289 -4.970 1.00 0.72 C ATOM 1025 C SER A 73 11.042 -7.206 -4.352 1.00 0.64 C ATOM 1026 O SER A 73 11.122 -6.101 -4.854 1.00 0.84 O ATOM 1027 CB SER A 73 11.033 -9.413 -5.527 1.00 0.82 C ATOM 1028 OG SER A 73 11.376 -9.117 -6.873 1.00 0.93 O ATOM 0 H SER A 73 9.853 -6.979 -6.621 1.00 0.75 H new ATOM 0 HA SER A 73 9.490 -8.699 -4.212 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.935 -9.519 -4.925 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.502 -10.363 -5.475 1.00 0.82 H new ATOM 0 HG SER A 73 11.939 -9.834 -7.233 1.00 0.93 H new ATOM 1034 N ALA A 74 11.702 -7.503 -3.266 1.00 0.66 N ATOM 1035 CA ALA A 74 12.569 -6.474 -2.626 1.00 0.59 C ATOM 1036 C ALA A 74 14.014 -6.973 -2.566 1.00 0.61 C ATOM 1037 O ALA A 74 14.280 -8.097 -2.192 1.00 0.67 O ATOM 1038 CB ALA A 74 12.066 -6.197 -1.209 1.00 0.59 C ATOM 0 H ALA A 74 11.679 -8.408 -2.797 1.00 0.66 H new ATOM 0 HA ALA A 74 12.532 -5.557 -3.215 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.699 -5.444 -0.739 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.040 -5.833 -1.252 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.100 -7.116 -0.625 1.00 0.59 H new ATOM 1044 N THR A 75 14.951 -6.139 -2.929 1.00 0.62 N ATOM 1045 CA THR A 75 16.380 -6.549 -2.894 1.00 0.72 C ATOM 1046 C THR A 75 17.210 -5.454 -2.208 1.00 0.72 C ATOM 1047 O THR A 75 17.310 -4.355 -2.715 1.00 0.74 O ATOM 1048 CB THR A 75 16.873 -6.720 -4.331 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.143 -5.848 -5.182 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.664 -8.166 -4.785 1.00 0.97 C ATOM 0 H THR A 75 14.784 -5.185 -3.250 1.00 0.62 H new ATOM 0 HA THR A 75 16.484 -7.484 -2.343 1.00 0.72 H new ATOM 0 HB THR A 75 17.935 -6.481 -4.379 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.457 -5.953 -6.104 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.018 -8.280 -5.810 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.222 -8.837 -4.132 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.603 -8.413 -4.738 1.00 0.97 H new ATOM 1058 N PRO A 76 17.810 -5.732 -1.073 1.00 0.77 N ATOM 1059 CA PRO A 76 17.739 -7.057 -0.382 1.00 0.83 C ATOM 1060 C PRO A 76 16.327 -7.381 0.111 1.00 0.73 C ATOM 1061 O PRO A 76 15.347 -7.079 -0.535 1.00 0.68 O ATOM 1062 CB PRO A 76 18.686 -6.909 0.818 1.00 0.97 C ATOM 1063 CG PRO A 76 19.502 -5.688 0.553 1.00 1.02 C ATOM 1064 CD PRO A 76 18.643 -4.782 -0.323 1.00 0.85 C ATOM 0 HA PRO A 76 18.011 -7.868 -1.057 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.125 -6.809 1.747 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.322 -7.788 0.923 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.769 -5.189 1.485 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.434 -5.945 0.050 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.038 -4.100 0.275 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.252 -4.169 -0.987 1.00 0.85 H new ATOM 1072 N ASP A 77 16.219 -7.988 1.258 1.00 0.81 N ATOM 1073 CA ASP A 77 14.871 -8.328 1.794 1.00 0.76 C ATOM 1074 C ASP A 77 14.482 -7.323 2.880 1.00 0.72 C ATOM 1075 O ASP A 77 15.322 -6.796 3.582 1.00 0.78 O ATOM 1076 CB ASP A 77 14.896 -9.734 2.393 1.00 0.91 C ATOM 1077 CG ASP A 77 15.932 -10.586 1.656 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.079 -10.580 2.071 1.00 1.75 O ATOM 1079 OD2 ASP A 77 15.560 -11.230 0.689 1.00 1.30 O ATOM 0 H ASP A 77 17.004 -8.264 1.848 1.00 0.81 H new ATOM 0 HA ASP A 77 14.143 -8.290 0.984 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.140 -9.684 3.454 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.910 -10.192 2.313 1.00 0.91 H new ATOM 1084 N MET A 78 13.212 -7.059 3.025 1.00 0.75 N ATOM 1085 CA MET A 78 12.757 -6.093 4.064 1.00 0.87 C ATOM 1086 C MET A 78 11.285 -5.747 3.828 1.00 0.89 C ATOM 1087 O MET A 78 10.795 -5.817 2.719 1.00 0.93 O ATOM 1088 CB MET A 78 13.598 -4.814 3.984 1.00 1.01 C ATOM 1089 CG MET A 78 13.879 -4.475 2.519 1.00 1.19 C ATOM 1090 SD MET A 78 15.637 -4.719 2.168 1.00 1.83 S ATOM 1091 CE MET A 78 16.262 -3.367 3.197 1.00 2.16 C ATOM 0 H MET A 78 12.467 -7.473 2.465 1.00 0.75 H new ATOM 0 HA MET A 78 12.875 -6.543 5.050 1.00 0.87 H new ATOM 0 HB2 MET A 78 13.071 -3.989 4.464 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.536 -4.949 4.523 1.00 1.01 H new ATOM 0 HG2 MET A 78 13.276 -5.107 1.867 1.00 1.19 H new ATOM 0 HG3 MET A 78 13.596 -3.443 2.313 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.156 -2.944 2.738 1.00 2.16 H new ATOM 0 HE2 MET A 78 15.499 -2.594 3.285 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.509 -3.748 4.188 1.00 2.16 H new ATOM 1101 N PRO A 79 10.585 -5.373 4.866 1.00 0.96 N ATOM 1102 CA PRO A 79 9.144 -5.003 4.778 1.00 1.04 C ATOM 1103 C PRO A 79 8.934 -3.596 4.211 1.00 1.13 C ATOM 1104 O PRO A 79 9.845 -2.794 4.162 1.00 1.28 O ATOM 1105 CB PRO A 79 8.674 -5.064 6.231 1.00 1.12 C ATOM 1106 CG PRO A 79 9.887 -4.757 7.045 1.00 1.38 C ATOM 1107 CD PRO A 79 11.091 -5.262 6.246 1.00 1.11 C ATOM 0 HA PRO A 79 8.596 -5.665 4.107 1.00 1.04 H new ATOM 0 HB2 PRO A 79 7.880 -4.342 6.419 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.274 -6.048 6.475 1.00 1.12 H new ATOM 0 HG2 PRO A 79 9.967 -3.686 7.231 1.00 1.38 H new ATOM 0 HG3 PRO A 79 9.835 -5.247 8.017 1.00 1.38 H new ATOM 0 HD2 PRO A 79 11.930 -4.569 6.308 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.443 -6.223 6.620 1.00 1.11 H new ATOM 1115 N VAL A 80 7.738 -3.291 3.789 1.00 1.13 N ATOM 1116 CA VAL A 80 7.467 -1.935 3.232 1.00 1.31 C ATOM 1117 C VAL A 80 6.139 -1.417 3.786 1.00 1.45 C ATOM 1118 O VAL A 80 5.486 -2.073 4.574 1.00 1.98 O ATOM 1119 CB VAL A 80 7.390 -2.009 1.706 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.737 -2.472 1.149 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.302 -3.005 1.295 1.00 1.79 C ATOM 0 H VAL A 80 6.937 -3.922 3.806 1.00 1.13 H new ATOM 0 HA VAL A 80 8.272 -1.258 3.518 1.00 1.31 H new ATOM 0 HB VAL A 80 7.150 -1.023 1.308 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.682 -2.525 0.062 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.513 -1.764 1.439 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.977 -3.457 1.548 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.248 -3.057 0.208 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.542 -3.991 1.694 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.341 -2.677 1.691 1.00 1.79 H new ATOM 1131 N ARG A 81 5.732 -0.244 3.382 1.00 1.48 N ATOM 1132 CA ARG A 81 4.448 0.313 3.889 1.00 1.84 C ATOM 1133 C ARG A 81 3.559 0.712 2.710 1.00 2.04 C ATOM 1134 O ARG A 81 3.901 1.573 1.924 1.00 2.57 O ATOM 1135 CB ARG A 81 4.731 1.544 4.752 1.00 2.24 C ATOM 1136 CG ARG A 81 3.444 2.352 4.930 1.00 2.95 C ATOM 1137 CD ARG A 81 3.674 3.457 5.963 1.00 4.04 C ATOM 1138 NE ARG A 81 2.576 3.441 6.974 1.00 4.81 N ATOM 1139 CZ ARG A 81 1.332 3.287 6.607 1.00 5.14 C ATOM 1140 NH1 ARG A 81 1.021 3.223 5.341 1.00 4.94 N ATOM 1141 NH2 ARG A 81 0.392 3.220 7.511 1.00 6.01 N ATOM 0 H ARG A 81 6.234 0.351 2.723 1.00 1.48 H new ATOM 0 HA ARG A 81 3.938 -0.443 4.487 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.118 1.238 5.724 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.498 2.161 4.283 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.141 2.787 3.978 1.00 2.95 H new ATOM 0 HG3 ARG A 81 2.634 1.699 5.255 1.00 2.95 H new ATOM 0 HD2 ARG A 81 4.636 3.313 6.455 1.00 4.04 H new ATOM 0 HD3 ARG A 81 3.711 4.428 5.468 1.00 4.04 H new ATOM 0 HE ARG A 81 2.800 3.552 7.963 1.00 4.81 H new ATOM 0 HH11 ARG A 81 1.751 3.293 4.632 1.00 4.94 H new ATOM 0 HH12 ARG A 81 0.048 3.103 5.060 1.00 4.94 H new ATOM 0 HH21 ARG A 81 0.630 3.288 8.500 1.00 6.01 H new ATOM 0 HH22 ARG A 81 -0.580 3.100 7.228 1.00 6.01 H new ATOM 1155 N VAL A 82 2.416 0.093 2.583 1.00 2.00 N ATOM 1156 CA VAL A 82 1.501 0.436 1.461 1.00 2.41 C ATOM 1157 C VAL A 82 0.171 0.935 2.029 1.00 1.99 C ATOM 1158 O VAL A 82 -0.230 0.559 3.113 1.00 1.85 O ATOM 1159 CB VAL A 82 1.259 -0.807 0.602 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.198 -2.043 1.501 1.00 3.76 C ATOM 1161 CG2 VAL A 82 -0.067 -0.659 -0.147 1.00 3.57 C ATOM 0 H VAL A 82 2.078 -0.637 3.210 1.00 2.00 H new ATOM 0 HA VAL A 82 1.950 1.216 0.847 1.00 2.41 H new ATOM 0 HB VAL A 82 2.073 -0.917 -0.115 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.026 -2.929 0.890 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.141 -2.150 2.037 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.384 -1.932 2.217 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.240 -1.544 -0.759 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.880 -0.550 0.571 1.00 3.57 H new ATOM 0 HG23 VAL A 82 -0.027 0.222 -0.787 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.516 1.782 1.312 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.816 2.300 1.823 1.00 1.82 C ATOM 1173 C LEU A 83 -2.806 2.454 0.667 1.00 1.64 C ATOM 1174 O LEU A 83 -2.424 2.596 -0.478 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.595 3.659 2.491 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.832 4.580 1.536 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.827 5.397 0.709 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.056 5.527 2.346 1.00 1.42 C ATOM 0 H LEU A 83 -0.234 2.136 0.398 1.00 2.02 H new ATOM 0 HA LEU A 83 -2.222 1.596 2.550 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.553 4.106 2.756 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -1.035 3.534 3.418 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.213 3.980 0.869 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.283 6.053 0.029 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.461 4.723 0.133 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.446 5.998 1.375 1.00 1.99 H new ATOM 0 HD21 LEU A 83 0.601 6.184 1.668 1.00 1.42 H new ATOM 0 HD22 LEU A 83 -0.564 6.127 3.012 1.00 1.42 H new ATOM 0 HD23 LEU A 83 0.765 4.946 2.936 1.00 1.42 H new ATOM 1190 N VAL A 84 -4.078 2.433 0.961 1.00 1.54 N ATOM 1191 CA VAL A 84 -5.099 2.580 -0.116 1.00 1.53 C ATOM 1192 C VAL A 84 -6.384 3.158 0.477 1.00 1.46 C ATOM 1193 O VAL A 84 -6.614 3.088 1.667 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.401 1.213 -0.732 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.770 1.388 -2.206 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.166 0.315 -0.621 1.00 1.84 C ATOM 0 H VAL A 84 -4.455 2.320 1.902 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.714 3.249 -0.886 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.233 0.753 -0.199 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.985 0.414 -2.645 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.650 2.025 -2.287 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.938 1.850 -2.737 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.383 -0.659 -1.060 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.333 0.775 -1.152 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.901 0.188 0.429 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.227 3.725 -0.342 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.499 4.302 0.180 1.00 1.49 C ATOM 1208 C GLY A 85 -8.859 5.556 -0.619 1.00 1.17 C ATOM 1209 O GLY A 85 -8.654 5.622 -1.815 1.00 1.15 O ATOM 0 H GLY A 85 -7.091 3.814 -1.349 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.301 3.568 0.105 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.392 4.550 1.236 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.397 6.550 0.032 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.772 7.799 -0.689 1.00 1.19 C ATOM 1215 C GLU A 86 -8.589 8.770 -0.675 1.00 1.21 C ATOM 1216 O GLU A 86 -7.474 8.400 -0.366 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.972 8.447 0.002 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.525 9.067 1.328 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.485 10.591 1.192 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.324 11.125 0.487 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -9.615 11.196 1.796 1.00 2.54 O ATOM 0 H GLU A 86 -9.593 6.551 1.033 1.00 1.14 H new ATOM 0 HA GLU A 86 -10.033 7.559 -1.720 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.406 9.212 -0.641 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.748 7.703 0.180 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -11.211 8.780 2.125 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.540 8.690 1.604 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.823 10.009 -1.007 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.711 11.003 -1.012 1.00 1.38 C ATOM 1230 C GLY A 87 -8.262 12.389 -0.676 1.00 1.20 C ATOM 1231 O GLY A 87 -8.559 13.179 -1.552 1.00 1.26 O ATOM 0 H GLY A 87 -9.736 10.377 -1.275 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.950 10.717 -0.286 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.228 11.019 -1.989 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.977 9.949 5.081 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.663 8.803 5.743 1.00 2.12 C ATOM 1282 C ARG A 92 -9.570 7.568 4.846 1.00 1.84 C ATOM 1283 O ARG A 92 -10.083 7.549 3.744 1.00 2.05 O ATOM 1284 CB ARG A 92 -11.134 9.155 5.977 1.00 2.02 C ATOM 1285 CG ARG A 92 -11.295 9.774 7.367 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.083 8.698 8.432 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.199 8.738 9.423 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.646 9.878 9.880 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.072 10.997 9.536 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -13.659 9.895 10.703 1.00 5.74 N ATOM 0 HA ARG A 92 -9.183 8.595 6.699 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -11.478 9.853 5.214 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -11.751 8.261 5.892 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.576 10.582 7.503 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -12.288 10.211 7.469 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.036 7.715 7.964 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -10.130 8.857 8.937 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.617 7.866 9.747 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -11.269 10.986 8.907 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -12.426 11.883 9.896 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -14.099 9.020 10.988 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -14.010 10.783 11.061 1.00 5.74 H new ATOM 1304 N THR A 93 -8.920 6.535 5.307 1.00 1.67 N ATOM 1305 CA THR A 93 -8.795 5.303 4.479 1.00 1.74 C ATOM 1306 C THR A 93 -8.958 4.064 5.359 1.00 1.95 C ATOM 1307 O THR A 93 -9.031 4.148 6.568 1.00 2.27 O ATOM 1308 CB THR A 93 -7.415 5.261 3.820 1.00 1.70 C ATOM 1309 OG1 THR A 93 -7.009 3.908 3.677 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.404 6.004 4.694 1.00 1.74 C ATOM 0 H THR A 93 -8.470 6.491 6.221 1.00 1.67 H new ATOM 0 HA THR A 93 -9.571 5.315 3.714 1.00 1.74 H new ATOM 0 HB THR A 93 -7.464 5.738 2.841 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.955 3.681 2.725 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.422 5.972 4.222 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.717 7.042 4.811 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.351 5.529 5.673 1.00 1.74 H new ATOM 1318 N ALA A 94 -9.002 2.911 4.750 1.00 2.15 N ATOM 1319 CA ALA A 94 -9.146 1.656 5.533 1.00 2.71 C ATOM 1320 C ALA A 94 -7.981 0.726 5.193 1.00 2.70 C ATOM 1321 O ALA A 94 -7.665 -0.187 5.930 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.468 0.975 5.172 1.00 3.28 C ATOM 0 H ALA A 94 -8.944 2.786 3.739 1.00 2.15 H new ATOM 0 HA ALA A 94 -9.141 1.882 6.599 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.572 0.055 5.747 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -11.297 1.644 5.404 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.478 0.741 4.108 1.00 3.28 H new ATOM 1328 N PHE A 95 -7.336 0.952 4.079 1.00 2.24 N ATOM 1329 CA PHE A 95 -6.190 0.082 3.694 1.00 2.32 C ATOM 1330 C PHE A 95 -4.896 0.678 4.252 1.00 1.89 C ATOM 1331 O PHE A 95 -3.851 0.596 3.639 1.00 2.04 O ATOM 1332 CB PHE A 95 -6.098 0.009 2.170 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.537 -1.331 1.755 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.624 -2.001 2.578 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.934 -1.905 0.540 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -4.109 -3.242 2.187 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.418 -3.146 0.149 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.505 -3.815 0.972 1.00 3.60 C ATOM 0 H PHE A 95 -7.554 1.700 3.421 1.00 2.24 H new ATOM 0 HA PHE A 95 -6.338 -0.919 4.098 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -7.085 0.153 1.730 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.462 0.811 1.796 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -4.317 -1.560 3.515 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.639 -1.389 -0.095 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -3.405 -3.759 2.823 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -5.724 -3.587 -0.788 1.00 3.65 H new ATOM 0 HZ PHE A 95 -4.106 -4.772 0.670 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.958 1.281 5.405 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.728 1.884 5.993 1.00 2.11 C ATOM 1350 C GLU A 96 -2.947 0.812 6.756 1.00 1.99 C ATOM 1351 O GLU A 96 -3.118 0.637 7.946 1.00 2.04 O ATOM 1352 CB GLU A 96 -4.121 3.011 6.950 1.00 2.46 C ATOM 1353 CG GLU A 96 -5.393 2.620 7.705 1.00 3.05 C ATOM 1354 CD GLU A 96 -5.405 3.303 9.074 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -5.353 4.522 9.106 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -5.467 2.597 10.066 1.00 4.04 O ATOM 0 H GLU A 96 -5.804 1.383 5.965 1.00 1.92 H new ATOM 0 HA GLU A 96 -3.103 2.287 5.196 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.312 3.203 7.655 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.285 3.934 6.394 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -6.273 2.914 7.133 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -5.438 1.538 7.826 1.00 3.05 H new ATOM 1363 N GLN A 97 -2.091 0.095 6.082 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.300 -0.963 6.772 1.00 2.35 C ATOM 1365 C GLN A 97 0.154 -0.507 6.903 1.00 2.76 C ATOM 1366 O GLN A 97 0.448 0.672 6.888 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.358 -2.257 5.957 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.348 -2.185 4.810 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.863 -3.002 3.624 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.587 -2.496 2.791 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -0.516 -4.256 3.511 1.00 3.46 N ATOM 0 H GLN A 97 -1.905 0.196 5.084 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.716 -1.140 7.764 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.138 -3.112 6.596 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.363 -2.405 5.562 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.194 -1.148 4.511 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.618 -2.569 5.138 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.092 -4.682 4.210 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.853 -4.809 2.723 1.00 3.46 H new ATOM 1380 N GLY A 98 1.068 -1.430 7.031 1.00 2.66 N ATOM 1381 CA GLY A 98 2.502 -1.044 7.163 1.00 3.12 C ATOM 1382 C GLY A 98 3.379 -2.298 7.127 1.00 2.94 C ATOM 1383 O GLY A 98 4.470 -2.287 6.593 1.00 3.67 O ATOM 0 H GLY A 98 0.884 -2.433 7.050 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.783 -0.369 6.355 1.00 3.12 H new ATOM 0 HA3 GLY A 98 2.659 -0.505 8.097 1.00 3.12 H new ATOM 1387 N SER A 99 2.912 -3.378 7.690 1.00 2.31 N ATOM 1388 CA SER A 99 3.721 -4.629 7.688 1.00 2.54 C ATOM 1389 C SER A 99 3.583 -5.325 6.332 1.00 2.05 C ATOM 1390 O SER A 99 2.705 -6.140 6.128 1.00 1.87 O ATOM 1391 CB SER A 99 3.218 -5.561 8.792 1.00 3.04 C ATOM 1392 OG SER A 99 3.929 -5.291 9.992 1.00 3.79 O ATOM 0 H SER A 99 2.005 -3.448 8.151 1.00 2.31 H new ATOM 0 HA SER A 99 4.768 -4.385 7.866 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.149 -5.416 8.948 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.359 -6.601 8.498 1.00 3.04 H new ATOM 0 HG SER A 99 3.609 -5.885 10.703 1.00 3.79 H new ATOM 1398 N ALA A 100 4.444 -5.011 5.404 1.00 1.96 N ATOM 1399 CA ALA A 100 4.361 -5.656 4.062 1.00 1.63 C ATOM 1400 C ALA A 100 5.691 -6.345 3.744 1.00 1.41 C ATOM 1401 O ALA A 100 6.504 -5.832 3.001 1.00 1.39 O ATOM 1402 CB ALA A 100 4.069 -4.589 3.005 1.00 1.76 C ATOM 0 H ALA A 100 5.201 -4.337 5.516 1.00 1.96 H new ATOM 0 HA ALA A 100 3.562 -6.397 4.060 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.008 -5.057 2.023 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.122 -4.100 3.234 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.869 -3.849 3.005 1.00 1.76 H new ATOM 1408 N PRO A 101 5.903 -7.503 4.309 1.00 1.67 N ATOM 1409 CA PRO A 101 7.151 -8.294 4.099 1.00 1.70 C ATOM 1410 C PRO A 101 7.439 -8.555 2.616 1.00 1.06 C ATOM 1411 O PRO A 101 6.602 -9.055 1.891 1.00 1.45 O ATOM 1412 CB PRO A 101 6.882 -9.616 4.823 1.00 2.69 C ATOM 1413 CG PRO A 101 5.797 -9.324 5.806 1.00 2.97 C ATOM 1414 CD PRO A 101 4.968 -8.184 5.217 1.00 2.35 C ATOM 0 HA PRO A 101 8.024 -7.760 4.474 1.00 1.70 H new ATOM 0 HB2 PRO A 101 6.576 -10.392 4.121 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.779 -9.977 5.326 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.179 -10.206 5.974 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.215 -9.040 6.772 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.094 -8.559 4.684 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.603 -7.512 5.994 1.00 2.35 H new ATOM 1422 N LEU A 102 8.620 -8.227 2.165 1.00 0.99 N ATOM 1423 CA LEU A 102 8.965 -8.464 0.733 1.00 1.10 C ATOM 1424 C LEU A 102 10.410 -8.957 0.636 1.00 0.93 C ATOM 1425 O LEU A 102 11.262 -8.563 1.407 1.00 1.33 O ATOM 1426 CB LEU A 102 8.817 -7.160 -0.054 1.00 2.00 C ATOM 1427 CG LEU A 102 7.333 -6.865 -0.283 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.179 -5.484 -0.922 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.742 -7.926 -1.214 1.00 2.31 C ATOM 0 H LEU A 102 9.360 -7.805 2.726 1.00 0.99 H new ATOM 0 HA LEU A 102 8.293 -9.215 0.317 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.281 -6.339 0.492 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.334 -7.240 -1.010 1.00 2.00 H new ATOM 0 HG LEU A 102 6.807 -6.883 0.672 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.122 -5.274 -1.085 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.601 -4.728 -0.260 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.704 -5.464 -1.877 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.685 -7.718 -1.378 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.268 -7.907 -2.168 1.00 2.31 H new ATOM 0 HD23 LEU A 102 6.851 -8.911 -0.759 1.00 2.31 H new ATOM 1441 N THR A 103 10.693 -9.820 -0.301 1.00 1.21 N ATOM 1442 CA THR A 103 12.084 -10.337 -0.441 1.00 1.09 C ATOM 1443 C THR A 103 12.560 -10.152 -1.882 1.00 1.38 C ATOM 1444 O THR A 103 11.814 -9.731 -2.745 1.00 1.81 O ATOM 1445 CB THR A 103 12.111 -11.825 -0.081 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.154 -12.465 -0.804 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.770 -12.465 -0.442 1.00 2.34 C ATOM 0 H THR A 103 10.022 -10.189 -0.975 1.00 1.21 H new ATOM 0 HA THR A 103 12.744 -9.786 0.229 1.00 1.09 H new ATOM 0 HB THR A 103 12.287 -11.937 0.989 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.175 -13.417 -0.574 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.791 -13.524 -0.185 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.971 -11.973 0.113 1.00 2.34 H new ATOM 0 HG23 THR A 103 10.590 -12.355 -1.511 1.00 2.34 H new ATOM 1455 N GLY A 104 13.798 -10.465 -2.152 1.00 1.62 N ATOM 1456 CA GLY A 104 14.324 -10.308 -3.538 1.00 2.17 C ATOM 1457 C GLY A 104 13.834 -11.468 -4.405 1.00 1.60 C ATOM 1458 O GLY A 104 14.369 -11.735 -5.463 1.00 1.83 O ATOM 0 H GLY A 104 14.469 -10.823 -1.472 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.991 -9.359 -3.959 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.414 -10.286 -3.524 1.00 2.17 H new ATOM 1462 N GLU A 105 12.818 -12.158 -3.967 1.00 1.22 N ATOM 1463 CA GLU A 105 12.289 -13.298 -4.766 1.00 1.09 C ATOM 1464 C GLU A 105 11.010 -12.858 -5.484 1.00 1.06 C ATOM 1465 O GLU A 105 9.963 -12.748 -4.878 1.00 1.08 O ATOM 1466 CB GLU A 105 11.969 -14.468 -3.833 1.00 1.40 C ATOM 1467 CG GLU A 105 13.199 -15.368 -3.700 1.00 1.95 C ATOM 1468 CD GLU A 105 12.884 -16.528 -2.753 1.00 2.43 C ATOM 1469 OE1 GLU A 105 11.774 -17.030 -2.812 1.00 3.02 O ATOM 1470 OE2 GLU A 105 13.759 -16.894 -1.986 1.00 2.75 O ATOM 0 H GLU A 105 12.330 -11.981 -3.089 1.00 1.22 H new ATOM 0 HA GLU A 105 13.034 -13.610 -5.498 1.00 1.09 H new ATOM 0 HB2 GLU A 105 11.671 -14.094 -2.853 1.00 1.40 H new ATOM 0 HB3 GLU A 105 11.128 -15.040 -4.225 1.00 1.40 H new ATOM 0 HG2 GLU A 105 13.489 -15.752 -4.678 1.00 1.95 H new ATOM 0 HG3 GLU A 105 14.044 -14.793 -3.320 1.00 1.95 H new ATOM 1477 N PRO A 106 11.088 -12.599 -6.765 1.00 1.08 N ATOM 1478 CA PRO A 106 9.909 -12.158 -7.561 1.00 1.12 C ATOM 1479 C PRO A 106 8.661 -12.985 -7.251 1.00 1.24 C ATOM 1480 O PRO A 106 8.625 -14.180 -7.469 1.00 1.42 O ATOM 1481 CB PRO A 106 10.351 -12.371 -9.008 1.00 1.26 C ATOM 1482 CG PRO A 106 11.838 -12.250 -8.985 1.00 1.20 C ATOM 1483 CD PRO A 106 12.299 -12.701 -7.597 1.00 1.13 C ATOM 0 HA PRO A 106 9.630 -11.128 -7.340 1.00 1.12 H new ATOM 0 HB2 PRO A 106 10.041 -13.350 -9.374 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.906 -11.628 -9.669 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.288 -12.869 -9.761 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.145 -11.222 -9.179 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.684 -13.720 -7.617 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.099 -12.065 -7.217 1.00 1.13 H new ATOM 1491 N ALA A 107 7.637 -12.360 -6.739 1.00 1.17 N ATOM 1492 CA ALA A 107 6.394 -13.110 -6.411 1.00 1.31 C ATOM 1493 C ALA A 107 5.245 -12.125 -6.183 1.00 1.24 C ATOM 1494 O ALA A 107 5.455 -10.969 -5.869 1.00 1.04 O ATOM 1495 CB ALA A 107 6.617 -13.936 -5.143 1.00 1.37 C ATOM 0 H ALA A 107 7.608 -11.361 -6.534 1.00 1.17 H new ATOM 0 HA ALA A 107 6.143 -13.774 -7.238 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.707 -14.486 -4.902 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.433 -14.640 -5.306 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.870 -13.272 -4.316 1.00 1.37 H new ATOM 1501 N THR A 108 4.031 -12.575 -6.345 1.00 1.45 N ATOM 1502 CA THR A 108 2.865 -11.673 -6.140 1.00 1.43 C ATOM 1503 C THR A 108 2.386 -11.750 -4.691 1.00 1.38 C ATOM 1504 O THR A 108 2.247 -12.819 -4.131 1.00 1.47 O ATOM 1505 CB THR A 108 1.722 -12.095 -7.064 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.805 -13.493 -7.307 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.829 -11.340 -8.386 1.00 1.66 C ATOM 0 H THR A 108 3.797 -13.531 -6.611 1.00 1.45 H new ATOM 0 HA THR A 108 3.169 -10.651 -6.366 1.00 1.43 H new ATOM 0 HB THR A 108 0.767 -11.863 -6.592 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.072 -13.766 -7.898 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.014 -11.641 -9.044 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.767 -10.268 -8.199 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.783 -11.571 -8.861 1.00 1.66 H new ATOM 1515 N ARG A 109 2.095 -10.629 -4.088 1.00 1.33 N ATOM 1516 CA ARG A 109 1.587 -10.656 -2.690 1.00 1.32 C ATOM 1517 C ARG A 109 0.119 -10.244 -2.723 1.00 1.37 C ATOM 1518 O ARG A 109 -0.270 -9.383 -3.487 1.00 1.49 O ATOM 1519 CB ARG A 109 2.363 -9.679 -1.810 1.00 1.27 C ATOM 1520 CG ARG A 109 3.406 -10.437 -0.984 1.00 1.97 C ATOM 1521 CD ARG A 109 4.086 -11.497 -1.854 1.00 2.63 C ATOM 1522 NE ARG A 109 3.473 -12.828 -1.581 1.00 3.48 N ATOM 1523 CZ ARG A 109 3.678 -13.822 -2.402 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.417 -13.649 -3.463 1.00 3.39 N ATOM 1525 NH2 ARG A 109 3.143 -14.988 -2.161 1.00 4.70 N ATOM 0 H ARG A 109 2.187 -9.701 -4.502 1.00 1.33 H new ATOM 0 HA ARG A 109 1.709 -11.657 -2.275 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.853 -8.928 -2.430 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.678 -9.149 -1.149 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.150 -9.742 -0.594 1.00 1.97 H new ATOM 0 HG3 ARG A 109 2.930 -10.909 -0.125 1.00 1.97 H new ATOM 0 HD2 ARG A 109 3.976 -11.243 -2.908 1.00 2.63 H new ATOM 0 HD3 ARG A 109 5.155 -11.526 -1.642 1.00 2.63 H new ATOM 0 HE ARG A 109 2.893 -12.962 -0.753 1.00 3.48 H new ATOM 0 HH11 ARG A 109 4.834 -12.737 -3.651 1.00 3.39 H new ATOM 0 HH12 ARG A 109 4.578 -14.425 -4.105 1.00 3.39 H new ATOM 0 HH21 ARG A 109 2.565 -15.122 -1.331 1.00 4.70 H new ATOM 0 HH22 ARG A 109 3.303 -15.765 -2.802 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.697 -10.855 -1.916 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.147 -10.508 -1.927 1.00 1.51 C ATOM 1541 C GLU A 110 -2.550 -9.854 -0.605 1.00 1.50 C ATOM 1542 O GLU A 110 -2.691 -10.510 0.407 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.969 -11.782 -2.131 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.094 -12.855 -2.781 1.00 2.12 C ATOM 1545 CD GLU A 110 -2.976 -13.820 -3.575 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -3.740 -13.350 -4.401 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -2.871 -15.014 -3.345 1.00 2.69 O ATOM 0 H GLU A 110 -0.427 -11.578 -1.250 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.336 -9.806 -2.740 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.350 -12.139 -1.174 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.834 -11.573 -2.760 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.360 -12.391 -3.440 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.538 -13.398 -2.017 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.759 -8.566 -0.613 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.178 -7.864 0.630 1.00 1.81 C ATOM 1556 C TYR A 111 -4.641 -7.442 0.470 1.00 2.14 C ATOM 1557 O TYR A 111 -4.961 -6.561 -0.303 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.321 -6.612 0.846 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.857 -6.954 1.055 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.424 -8.282 1.212 1.00 2.76 C ATOM 1561 CD2 TYR A 111 0.080 -5.912 1.094 1.00 1.82 C ATOM 1562 CE1 TYR A 111 0.936 -8.557 1.407 1.00 2.96 C ATOM 1563 CE2 TYR A 111 1.437 -6.191 1.289 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.865 -7.513 1.445 1.00 2.36 C ATOM 1565 OH TYR A 111 3.204 -7.787 1.637 1.00 2.67 O ATOM 0 H TYR A 111 -2.657 -7.968 -1.433 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.055 -8.528 1.485 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.420 -5.952 -0.016 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.692 -6.063 1.712 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.140 -9.090 1.182 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.247 -4.890 0.973 1.00 1.82 H new ATOM 0 HE1 TYR A 111 1.267 -9.578 1.528 1.00 2.96 H new ATOM 0 HE2 TYR A 111 2.155 -5.385 1.319 1.00 2.00 H new ATOM 0 HH TYR A 111 3.745 -7.106 1.186 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.532 -8.074 1.184 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.970 -7.718 1.064 1.00 2.71 C ATOM 1577 C ALA A 112 -7.484 -7.181 2.400 1.00 2.50 C ATOM 1578 O ALA A 112 -6.822 -7.276 3.415 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.770 -8.964 0.677 1.00 3.41 C ATOM 0 H ALA A 112 -5.324 -8.822 1.845 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.089 -6.951 0.298 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.825 -8.706 0.588 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.409 -9.347 -0.278 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.647 -9.728 1.444 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.663 -6.622 2.408 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.222 -6.085 3.680 1.00 2.20 C ATOM 1587 C PHE A 113 -10.749 -6.073 3.602 1.00 1.67 C ATOM 1588 O PHE A 113 -11.335 -6.482 2.619 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.716 -4.659 3.909 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.952 -3.831 2.668 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.237 -4.105 1.496 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -9.884 -2.787 2.693 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -8.457 -3.335 0.347 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -10.103 -2.018 1.544 1.00 2.44 C ATOM 1595 CZ PHE A 113 -9.390 -2.291 0.371 1.00 2.64 C ATOM 0 H PHE A 113 -9.262 -6.514 1.590 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.902 -6.719 4.507 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.231 -4.212 4.760 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.653 -4.674 4.151 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.516 -4.909 1.478 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -10.434 -2.575 3.598 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -7.907 -3.546 -0.558 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -10.823 -1.213 1.563 1.00 2.44 H new ATOM 0 HZ PHE A 113 -9.559 -1.697 -0.515 1.00 2.64 H new ATOM 1605 N THR A 114 -11.397 -5.608 4.634 1.00 1.53 N ATOM 1606 CA THR A 114 -12.884 -5.571 4.626 1.00 1.47 C ATOM 1607 C THR A 114 -13.363 -4.121 4.535 1.00 1.85 C ATOM 1608 O THR A 114 -13.292 -3.373 5.490 1.00 2.23 O ATOM 1609 CB THR A 114 -13.408 -6.200 5.918 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.463 -5.996 6.958 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.622 -7.701 5.709 1.00 2.22 C ATOM 0 H THR A 114 -10.959 -5.252 5.483 1.00 1.53 H new ATOM 0 HA THR A 114 -13.258 -6.127 3.766 1.00 1.47 H new ATOM 0 HB THR A 114 -14.356 -5.735 6.190 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.798 -6.397 7.787 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.995 -8.147 6.631 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.347 -7.857 4.910 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.676 -8.169 5.437 1.00 2.22 H new ATOM 1619 N SER A 115 -13.853 -3.719 3.395 1.00 2.24 N ATOM 1620 CA SER A 115 -14.341 -2.319 3.245 1.00 2.93 C ATOM 1621 C SER A 115 -14.995 -1.868 4.553 1.00 3.67 C ATOM 1622 O SER A 115 -15.961 -2.447 5.007 1.00 4.11 O ATOM 1623 CB SER A 115 -15.362 -2.257 2.108 1.00 3.21 C ATOM 1624 OG SER A 115 -16.573 -2.869 2.529 1.00 4.06 O ATOM 0 H SER A 115 -13.937 -4.300 2.560 1.00 2.24 H new ATOM 0 HA SER A 115 -13.504 -1.660 3.014 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.545 -1.221 1.824 1.00 3.21 H new ATOM 0 HB3 SER A 115 -14.972 -2.765 1.226 1.00 3.21 H new ATOM 0 HG SER A 115 -16.377 -3.551 3.205 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.474 -0.837 5.161 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.065 -0.349 6.439 1.00 4.70 C ATOM 1632 C ASN A 116 -16.028 0.804 6.151 1.00 4.40 C ATOM 1633 O ASN A 116 -17.149 0.820 6.618 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.948 0.138 7.364 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.821 -0.896 7.394 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.156 -1.116 6.402 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -12.578 -1.545 8.500 1.00 6.86 N ATOM 0 H ASN A 116 -13.665 -0.312 4.828 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.608 -1.162 6.921 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.566 1.098 7.016 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.337 0.296 8.370 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -11.829 -2.237 8.531 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -13.137 -1.360 9.333 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.600 1.771 5.385 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.493 2.921 5.070 1.00 3.59 C ATOM 1646 C LEU A 117 -16.791 2.945 3.569 1.00 3.13 C ATOM 1647 O LEU A 117 -16.699 1.940 2.892 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.809 4.226 5.471 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.790 5.095 6.258 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.014 6.170 7.009 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -17.777 5.758 5.295 1.00 4.76 C ATOM 0 H LEU A 117 -14.672 1.814 4.965 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.425 2.813 5.624 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.927 4.016 6.076 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.467 4.758 4.583 1.00 3.83 H new ATOM 0 HG LEU A 117 -17.340 4.475 6.966 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.708 6.793 7.572 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.311 5.699 7.695 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.467 6.788 6.297 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -18.475 6.377 5.859 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -17.231 6.380 4.586 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -18.329 4.990 4.753 1.00 4.76 H new ATOM 1663 N THR A 118 -17.148 4.085 3.046 1.00 3.12 N ATOM 1664 CA THR A 118 -17.454 4.178 1.594 1.00 3.08 C ATOM 1665 C THR A 118 -16.496 5.171 0.933 1.00 3.13 C ATOM 1666 O THR A 118 -16.114 6.163 1.522 1.00 3.70 O ATOM 1667 CB THR A 118 -18.893 4.663 1.416 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.250 5.489 2.515 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.838 3.461 1.352 1.00 4.04 C ATOM 0 H THR A 118 -17.241 4.958 3.565 1.00 3.12 H new ATOM 0 HA THR A 118 -17.336 3.199 1.130 1.00 3.08 H new ATOM 0 HB THR A 118 -18.972 5.232 0.490 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.172 5.803 2.403 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.863 3.810 1.225 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.564 2.827 0.509 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.762 2.888 2.276 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.104 4.915 -0.285 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.171 5.847 -0.978 1.00 3.07 C ATOM 1679 C PHE A 119 -15.294 5.661 -2.491 1.00 2.72 C ATOM 1680 O PHE A 119 -14.350 5.287 -3.158 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.736 5.549 -0.541 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.617 5.735 0.954 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.680 7.020 1.506 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -13.443 4.623 1.786 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.569 7.193 2.891 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -13.333 4.796 3.171 1.00 5.10 C ATOM 1687 CZ PHE A 119 -13.396 6.080 3.723 1.00 5.44 C ATOM 0 H PHE A 119 -16.389 4.101 -0.830 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.424 6.875 -0.718 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.465 4.529 -0.814 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.042 6.212 -1.057 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.814 7.878 0.864 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -13.394 3.632 1.360 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -13.617 8.184 3.317 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -13.199 3.938 3.813 1.00 5.10 H new ATOM 0 HZ PHE A 119 -13.311 6.213 4.791 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.455 5.925 -3.026 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.722 5.790 -4.487 1.00 2.86 C ATOM 1699 C PRO A 120 -15.691 6.545 -5.333 1.00 3.02 C ATOM 1700 O PRO A 120 -14.724 7.074 -4.821 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.112 6.404 -4.670 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.764 6.327 -3.330 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.644 6.381 -2.290 1.00 3.80 C ATOM 0 HA PRO A 120 -16.662 4.751 -4.812 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.043 7.436 -5.013 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.687 5.857 -5.418 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.461 7.154 -3.191 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.339 5.406 -3.232 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.510 7.390 -1.900 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.858 5.736 -1.438 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.902 6.592 -6.620 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.989 7.290 -7.568 1.00 3.45 C ATOM 1713 C PRO A 121 -15.074 8.812 -7.425 1.00 3.18 C ATOM 1714 O PRO A 121 -14.111 9.520 -7.635 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.475 6.861 -8.959 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.518 5.809 -8.744 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.038 5.984 -7.320 1.00 2.74 C ATOM 0 HA PRO A 121 -13.947 7.030 -7.381 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.888 7.710 -9.504 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.649 6.472 -9.554 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.327 5.915 -9.466 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.096 4.813 -8.881 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.919 6.625 -7.289 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.321 5.030 -6.875 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.223 9.317 -7.068 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.371 10.791 -6.911 1.00 2.65 C ATOM 1727 C ASP A 122 -16.560 11.130 -5.431 1.00 2.94 C ATOM 1728 O ASP A 122 -16.249 10.343 -4.560 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.591 11.268 -7.703 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.411 10.058 -8.155 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.899 9.280 -8.943 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.538 9.929 -7.705 1.00 4.14 O ATOM 0 H ASP A 122 -17.065 8.773 -6.878 1.00 2.63 H new ATOM 0 HA ASP A 122 -15.476 11.288 -7.286 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.203 11.926 -7.087 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -17.272 11.848 -8.569 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.065 12.298 -5.141 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.273 12.686 -3.717 1.00 3.57 C ATOM 1739 C GLY A 123 -16.001 13.343 -3.175 1.00 3.16 C ATOM 1740 O GLY A 123 -15.265 13.983 -3.900 1.00 3.47 O ATOM 0 H GLY A 123 -17.342 13.000 -5.828 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.114 13.375 -3.636 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.523 11.807 -3.122 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.738 13.192 -1.906 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.514 13.808 -1.321 1.00 2.58 C ATOM 1746 C ASP A 124 -13.324 13.556 -2.249 1.00 2.15 C ATOM 1747 O ASP A 124 -12.591 14.463 -2.595 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.234 13.185 0.048 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.891 11.805 0.126 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -16.065 11.710 -0.192 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -14.208 10.866 0.502 1.00 3.51 O ATOM 0 H ASP A 124 -16.317 12.669 -1.249 1.00 2.78 H new ATOM 0 HA ASP A 124 -14.666 14.881 -1.207 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -13.159 13.097 0.206 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -14.621 13.829 0.838 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.123 12.332 -2.654 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.980 12.025 -3.559 1.00 1.67 C ATOM 1758 C ALA A 125 -12.168 10.631 -4.163 1.00 1.39 C ATOM 1759 O ALA A 125 -12.836 9.785 -3.599 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.674 12.063 -2.762 1.00 2.08 C ATOM 0 H ALA A 125 -13.701 11.532 -2.397 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.940 12.765 -4.358 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -9.837 11.838 -3.424 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.540 13.055 -2.331 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.714 11.323 -1.963 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.581 10.399 -5.305 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.676 9.090 -6.011 1.00 1.14 C ATOM 1768 C PRO A 126 -10.849 8.000 -5.323 1.00 1.05 C ATOM 1769 O PRO A 126 -10.531 8.094 -4.154 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.115 9.386 -7.404 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.213 10.562 -7.229 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.759 11.367 -6.048 1.00 1.39 C ATOM 0 HA PRO A 126 -12.698 8.711 -6.025 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.570 8.528 -7.798 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.915 9.607 -8.111 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.190 10.239 -7.036 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.191 11.170 -8.134 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.954 11.764 -5.430 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.351 12.218 -6.385 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.500 6.967 -6.040 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.695 5.873 -5.427 1.00 1.03 C ATOM 1782 C GLY A 127 -8.356 6.432 -4.944 1.00 1.09 C ATOM 1783 O GLY A 127 -7.988 7.547 -5.258 1.00 1.19 O ATOM 0 H GLY A 127 -10.737 6.833 -7.023 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.239 5.431 -4.592 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.528 5.079 -6.155 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.623 5.668 -4.182 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.309 6.158 -3.682 1.00 1.26 C ATOM 1789 C GLN A 128 -5.348 4.979 -3.520 1.00 1.11 C ATOM 1790 O GLN A 128 -5.588 4.069 -2.752 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.501 6.848 -2.330 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.347 7.823 -2.085 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.651 9.158 -2.768 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -6.707 9.262 -3.527 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -4.921 10.115 -2.608 1.00 1.99 N flip ATOM 0 H GLN A 128 -7.877 4.726 -3.884 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.894 6.868 -4.397 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.451 7.382 -2.314 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.539 6.105 -1.533 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -5.206 7.974 -1.015 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -4.417 7.407 -2.474 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.096 10.033 -2.014 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -5.133 11.001 -3.067 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.258 4.994 -4.236 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.273 3.883 -4.127 1.00 0.91 C ATOM 1806 C VAL A 129 -1.867 4.481 -4.063 1.00 0.88 C ATOM 1807 O VAL A 129 -1.552 5.411 -4.776 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.388 2.976 -5.354 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.472 1.765 -5.182 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.837 2.503 -5.504 1.00 0.89 C ATOM 0 H VAL A 129 -4.007 5.731 -4.894 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.470 3.296 -3.230 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.092 3.531 -6.244 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.554 1.119 -6.056 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.441 2.101 -5.075 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.767 1.209 -4.292 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.920 1.857 -6.378 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.133 1.949 -4.613 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.491 3.366 -5.628 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.020 3.970 -3.211 1.00 0.78 N ATOM 1821 CA ALA A 130 0.351 4.541 -3.120 1.00 0.85 C ATOM 1822 C ALA A 130 1.305 3.542 -2.463 1.00 0.75 C ATOM 1823 O ALA A 130 1.208 3.253 -1.287 1.00 0.73 O ATOM 1824 CB ALA A 130 0.303 5.824 -2.288 1.00 0.98 C ATOM 0 H ALA A 130 -1.216 3.191 -2.582 1.00 0.78 H new ATOM 0 HA ALA A 130 0.713 4.759 -4.125 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.304 6.249 -2.216 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.363 6.543 -2.766 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.067 5.596 -1.288 1.00 0.98 H new ATOM 1830 N PHE A 131 2.241 3.028 -3.215 1.00 0.75 N ATOM 1831 CA PHE A 131 3.221 2.067 -2.635 1.00 0.70 C ATOM 1832 C PHE A 131 4.407 2.857 -2.083 1.00 0.77 C ATOM 1833 O PHE A 131 5.177 3.432 -2.827 1.00 0.99 O ATOM 1834 CB PHE A 131 3.718 1.105 -3.719 1.00 0.70 C ATOM 1835 CG PHE A 131 2.559 0.519 -4.496 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.243 0.619 -4.018 1.00 1.49 C ATOM 1837 CD2 PHE A 131 2.811 -0.138 -5.707 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.188 0.062 -4.753 1.00 1.73 C ATOM 1839 CE2 PHE A 131 1.756 -0.693 -6.440 1.00 1.54 C ATOM 1840 CZ PHE A 131 0.445 -0.593 -5.963 1.00 1.48 C ATOM 0 H PHE A 131 2.369 3.233 -4.206 1.00 0.75 H new ATOM 0 HA PHE A 131 2.744 1.491 -1.842 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.387 1.632 -4.399 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.296 0.303 -3.261 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.044 1.125 -3.085 1.00 1.49 H new ATOM 0 HD2 PHE A 131 3.823 -0.217 -6.076 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.825 0.138 -4.385 1.00 1.73 H new ATOM 0 HE2 PHE A 131 1.954 -1.198 -7.374 1.00 1.54 H new ATOM 0 HZ PHE A 131 -0.369 -1.021 -6.529 1.00 1.48 H new ATOM 1850 N HIS A 132 4.558 2.901 -0.788 1.00 0.82 N ATOM 1851 CA HIS A 132 5.690 3.668 -0.198 1.00 0.96 C ATOM 1852 C HIS A 132 6.829 2.717 0.176 1.00 1.03 C ATOM 1853 O HIS A 132 6.610 1.646 0.707 1.00 1.41 O ATOM 1854 CB HIS A 132 5.207 4.401 1.055 1.00 1.41 C ATOM 1855 CG HIS A 132 4.393 5.599 0.653 1.00 1.36 C ATOM 1856 ND1 HIS A 132 4.739 6.781 0.045 1.00 1.70 N flip ATOM 1857 CD2 HIS A 132 3.025 5.670 0.867 1.00 1.88 C flip ATOM 1858 CE1 HIS A 132 3.605 7.574 -0.114 1.00 1.96 C flip ATOM 1859 NE2 HIS A 132 2.601 6.857 0.398 1.00 2.32 N flip ATOM 0 H HIS A 132 3.947 2.440 -0.114 1.00 0.82 H new ATOM 0 HA HIS A 132 6.054 4.389 -0.930 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.608 3.732 1.672 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.060 4.713 1.658 1.00 1.41 H new ATOM 0 HD1 HIS A 132 5.682 7.039 -0.246 1.00 1.70 H new ATOM 0 HD2 HIS A 132 2.411 4.910 1.327 1.00 1.88 H new ATOM 0 HE1 HIS A 132 3.549 8.558 -0.556 1.00 1.96 H new ATOM 1867 N LEU A 133 8.045 3.108 -0.092 1.00 1.00 N ATOM 1868 CA LEU A 133 9.206 2.238 0.249 1.00 1.39 C ATOM 1869 C LEU A 133 10.458 3.105 0.405 1.00 1.62 C ATOM 1870 O LEU A 133 11.570 2.616 0.374 1.00 2.04 O ATOM 1871 CB LEU A 133 9.430 1.212 -0.864 1.00 1.58 C ATOM 1872 CG LEU A 133 8.561 1.559 -2.074 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.850 2.994 -2.523 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.884 0.593 -3.215 1.00 2.11 C ATOM 0 H LEU A 133 8.285 3.995 -0.534 1.00 1.00 H new ATOM 0 HA LEU A 133 9.004 1.714 1.183 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.481 1.199 -1.152 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.185 0.213 -0.504 1.00 1.58 H new ATOM 0 HG LEU A 133 7.508 1.473 -1.804 1.00 1.41 H new ATOM 0 HD11 LEU A 133 8.229 3.238 -3.385 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.626 3.682 -1.708 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.901 3.085 -2.796 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.268 0.834 -4.081 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.937 0.684 -3.482 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.677 -0.429 -2.896 1.00 2.11 H new ATOM 1886 N GLY A 134 10.285 4.388 0.569 1.00 1.46 N ATOM 1887 CA GLY A 134 11.465 5.287 0.724 1.00 1.77 C ATOM 1888 C GLY A 134 12.024 5.161 2.143 1.00 1.08 C ATOM 1889 O GLY A 134 11.287 5.087 3.107 1.00 0.83 O ATOM 0 H GLY A 134 9.378 4.853 0.602 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.232 5.025 -0.004 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.177 6.319 0.526 1.00 1.77 H new ATOM 1893 N LYS A 135 13.322 5.137 2.279 1.00 1.23 N ATOM 1894 CA LYS A 135 13.930 5.013 3.634 1.00 1.09 C ATOM 1895 C LYS A 135 15.419 5.348 3.566 1.00 1.32 C ATOM 1896 O LYS A 135 16.155 4.794 2.774 1.00 1.76 O ATOM 1897 CB LYS A 135 13.761 3.578 4.145 1.00 1.93 C ATOM 1898 CG LYS A 135 12.330 3.368 4.649 1.00 2.37 C ATOM 1899 CD LYS A 135 12.327 2.293 5.738 1.00 3.36 C ATOM 1900 CE LYS A 135 12.814 2.898 7.056 1.00 4.04 C ATOM 1901 NZ LYS A 135 12.396 2.024 8.188 1.00 5.06 N ATOM 0 H LYS A 135 13.988 5.198 1.509 1.00 1.23 H new ATOM 0 HA LYS A 135 13.431 5.706 4.312 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.982 2.870 3.346 1.00 1.93 H new ATOM 0 HB3 LYS A 135 14.471 3.383 4.949 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.931 4.302 5.044 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.683 3.068 3.825 1.00 2.37 H new ATOM 0 HD2 LYS A 135 11.322 1.888 5.861 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.971 1.464 5.447 1.00 3.36 H new ATOM 0 HE2 LYS A 135 13.899 3.000 7.043 1.00 4.04 H new ATOM 0 HE3 LYS A 135 12.401 3.899 7.184 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 12.727 2.435 9.084 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 11.359 1.949 8.204 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 12.810 1.078 8.067 1.00 5.06 H new ATOM 1915 N ALA A 136 15.876 6.246 4.398 1.00 1.56 N ATOM 1916 CA ALA A 136 17.323 6.594 4.378 1.00 1.90 C ATOM 1917 C ALA A 136 18.119 5.296 4.258 1.00 2.22 C ATOM 1918 O ALA A 136 19.288 5.291 3.926 1.00 2.64 O ATOM 1919 CB ALA A 136 17.699 7.311 5.677 1.00 2.27 C ATOM 0 H ALA A 136 15.314 6.749 5.085 1.00 1.56 H new ATOM 0 HA ALA A 136 17.543 7.253 3.538 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.759 7.564 5.659 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.110 8.223 5.773 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.497 6.657 6.525 1.00 2.27 H new ATOM 1925 N GLY A 137 17.475 4.191 4.517 1.00 2.17 N ATOM 1926 CA GLY A 137 18.160 2.875 4.414 1.00 2.51 C ATOM 1927 C GLY A 137 17.355 1.974 3.477 1.00 1.81 C ATOM 1928 O GLY A 137 17.512 0.770 3.472 1.00 2.11 O ATOM 0 H GLY A 137 16.495 4.145 4.798 1.00 2.17 H new ATOM 0 HA2 GLY A 137 19.173 3.005 4.034 1.00 2.51 H new ATOM 0 HA3 GLY A 137 18.245 2.416 5.399 1.00 2.51 H new ATOM 1932 N ALA A 138 16.482 2.556 2.694 1.00 1.23 N ATOM 1933 CA ALA A 138 15.648 1.750 1.754 1.00 1.37 C ATOM 1934 C ALA A 138 16.520 0.777 0.954 1.00 1.13 C ATOM 1935 O ALA A 138 17.616 0.429 1.344 1.00 1.41 O ATOM 1936 CB ALA A 138 14.929 2.689 0.784 1.00 2.32 C ATOM 0 H ALA A 138 16.311 3.561 2.666 1.00 1.23 H new ATOM 0 HA ALA A 138 14.923 1.179 2.334 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.319 2.104 0.096 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.290 3.372 1.345 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.665 3.262 0.219 1.00 2.32 H new ATOM 1942 N TYR A 139 16.028 0.328 -0.170 1.00 0.82 N ATOM 1943 CA TYR A 139 16.807 -0.634 -1.000 1.00 0.75 C ATOM 1944 C TYR A 139 16.400 -0.484 -2.469 1.00 0.76 C ATOM 1945 O TYR A 139 16.541 0.569 -3.058 1.00 0.83 O ATOM 1946 CB TYR A 139 16.504 -2.059 -0.525 1.00 0.74 C ATOM 1947 CG TYR A 139 15.009 -2.238 -0.394 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.309 -1.566 0.617 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.318 -3.069 -1.286 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.924 -1.724 0.736 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.932 -3.224 -1.165 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.236 -2.552 -0.155 1.00 1.11 C ATOM 1953 OH TYR A 139 10.870 -2.708 -0.040 1.00 1.32 O ATOM 0 H TYR A 139 15.117 0.587 -0.549 1.00 0.82 H new ATOM 0 HA TYR A 139 17.874 -0.432 -0.900 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.907 -2.783 -1.233 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.989 -2.245 0.433 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.840 -0.925 1.306 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.854 -3.589 -2.066 1.00 1.41 H new ATOM 0 HE1 TYR A 139 12.387 -1.206 1.517 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.399 -3.864 -1.853 1.00 1.42 H new ATOM 0 HH TYR A 139 10.550 -3.316 -0.739 1.00 1.32 H new ATOM 1963 N GLU A 140 15.896 -1.530 -3.065 1.00 0.80 N ATOM 1964 CA GLU A 140 15.476 -1.453 -4.493 1.00 0.87 C ATOM 1965 C GLU A 140 14.118 -2.141 -4.657 1.00 0.77 C ATOM 1966 O GLU A 140 13.834 -3.132 -4.014 1.00 0.73 O ATOM 1967 CB GLU A 140 16.514 -2.158 -5.369 1.00 1.13 C ATOM 1968 CG GLU A 140 17.776 -1.298 -5.459 1.00 0.93 C ATOM 1969 CD GLU A 140 19.009 -2.174 -5.230 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.431 -2.826 -6.171 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.510 -2.178 -4.117 1.00 1.65 O ATOM 0 H GLU A 140 15.757 -2.438 -2.622 1.00 0.80 H new ATOM 0 HA GLU A 140 15.397 -0.409 -4.795 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.756 -3.135 -4.950 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.107 -2.331 -6.365 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.834 -0.819 -6.437 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.740 -0.502 -4.716 1.00 0.93 H new ATOM 1978 N PHE A 141 13.274 -1.626 -5.510 1.00 0.77 N ATOM 1979 CA PHE A 141 11.936 -2.258 -5.706 1.00 0.75 C ATOM 1980 C PHE A 141 11.741 -2.590 -7.188 1.00 0.72 C ATOM 1981 O PHE A 141 11.908 -1.747 -8.045 1.00 0.73 O ATOM 1982 CB PHE A 141 10.846 -1.285 -5.247 1.00 0.79 C ATOM 1983 CG PHE A 141 9.486 -1.907 -5.457 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.181 -3.146 -4.879 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.526 -1.242 -6.230 1.00 1.64 C ATOM 1986 CE1 PHE A 141 7.920 -3.720 -5.075 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.263 -1.815 -6.425 1.00 1.68 C ATOM 1988 CZ PHE A 141 6.961 -3.054 -5.847 1.00 1.00 C ATOM 0 H PHE A 141 13.452 -0.798 -6.078 1.00 0.77 H new ATOM 0 HA PHE A 141 11.874 -3.176 -5.121 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.985 -1.039 -4.194 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.920 -0.352 -5.805 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.920 -3.659 -4.281 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.760 -0.287 -6.676 1.00 1.64 H new ATOM 0 HE1 PHE A 141 7.687 -4.676 -4.631 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.523 -1.302 -7.021 1.00 1.68 H new ATOM 0 HZ PHE A 141 5.987 -3.496 -5.997 1.00 1.00 H new ATOM 1998 N CYS A 142 11.399 -3.813 -7.497 1.00 0.70 N ATOM 1999 CA CYS A 142 11.209 -4.196 -8.926 1.00 0.68 C ATOM 2000 C CYS A 142 9.758 -4.614 -9.181 1.00 0.68 C ATOM 2001 O CYS A 142 9.282 -5.604 -8.662 1.00 0.74 O ATOM 2002 CB CYS A 142 12.137 -5.365 -9.258 1.00 0.68 C ATOM 2003 SG CYS A 142 13.728 -4.755 -9.880 1.00 0.72 S ATOM 0 H CYS A 142 11.243 -4.562 -6.822 1.00 0.70 H new ATOM 0 HA CYS A 142 11.443 -3.339 -9.557 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.297 -5.974 -8.368 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.670 -6.007 -10.005 1.00 0.68 H new ATOM 2008 N ILE A 143 9.061 -3.868 -9.996 1.00 0.83 N ATOM 2009 CA ILE A 143 7.647 -4.207 -10.315 1.00 0.89 C ATOM 2010 C ILE A 143 7.489 -4.306 -11.829 1.00 0.92 C ATOM 2011 O ILE A 143 8.084 -3.563 -12.584 1.00 0.91 O ATOM 2012 CB ILE A 143 6.723 -3.124 -9.755 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.607 -2.800 -10.753 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.532 -1.859 -9.470 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.617 -1.825 -10.113 1.00 1.22 C ATOM 0 H ILE A 143 9.416 -3.031 -10.458 1.00 0.83 H new ATOM 0 HA ILE A 143 7.381 -5.162 -9.863 1.00 0.89 H new ATOM 0 HB ILE A 143 6.274 -3.492 -8.832 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.030 -2.364 -11.658 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.093 -3.714 -11.050 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.873 -1.088 -9.071 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.312 -2.082 -8.742 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.989 -1.504 -10.394 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.823 -1.594 -10.823 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.185 -2.278 -9.221 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.136 -0.907 -9.839 1.00 1.22 H new ATOM 2027 N SER A 144 6.681 -5.222 -12.269 1.00 1.00 N ATOM 2028 CA SER A 144 6.459 -5.387 -13.731 1.00 1.07 C ATOM 2029 C SER A 144 4.974 -5.187 -14.020 1.00 1.14 C ATOM 2030 O SER A 144 4.576 -4.907 -15.134 1.00 1.33 O ATOM 2031 CB SER A 144 6.881 -6.793 -14.160 1.00 1.17 C ATOM 2032 OG SER A 144 5.899 -7.728 -13.733 1.00 1.28 O ATOM 0 H SER A 144 6.160 -5.869 -11.677 1.00 1.00 H new ATOM 0 HA SER A 144 7.050 -4.657 -14.284 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.995 -6.837 -15.243 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.850 -7.042 -13.727 1.00 1.17 H new ATOM 0 HG SER A 144 6.165 -8.630 -14.008 1.00 1.28 H new ATOM 2038 N GLN A 145 4.153 -5.320 -13.016 1.00 1.08 N ATOM 2039 CA GLN A 145 2.690 -5.128 -13.224 1.00 1.29 C ATOM 2040 C GLN A 145 1.975 -5.124 -11.873 1.00 1.38 C ATOM 2041 O GLN A 145 2.563 -5.401 -10.846 1.00 1.99 O ATOM 2042 CB GLN A 145 2.134 -6.253 -14.104 1.00 1.40 C ATOM 2043 CG GLN A 145 2.675 -7.606 -13.637 1.00 1.94 C ATOM 2044 CD GLN A 145 2.611 -8.606 -14.792 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.599 -9.246 -15.002 1.00 2.30 O ATOM 2046 NE2 GLN A 145 3.655 -8.769 -15.557 1.00 3.30 N ATOM 0 H GLN A 145 4.430 -5.553 -12.062 1.00 1.08 H new ATOM 0 HA GLN A 145 2.522 -4.173 -13.723 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.045 -6.254 -14.060 1.00 1.40 H new ATOM 0 HB3 GLN A 145 2.411 -6.082 -15.144 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.703 -7.499 -13.291 1.00 1.94 H new ATOM 0 HG3 GLN A 145 2.091 -7.972 -12.792 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.505 -8.232 -15.382 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.622 -9.433 -16.331 1.00 3.30 H new ATOM 2055 N VAL A 146 0.707 -4.812 -11.863 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.045 -4.789 -10.577 1.00 1.53 C ATOM 2057 C VAL A 146 -1.494 -5.211 -10.825 1.00 1.48 C ATOM 2058 O VAL A 146 -2.093 -4.856 -11.820 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.018 -3.375 -9.996 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.671 -2.404 -10.983 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.790 -3.352 -8.675 1.00 2.16 C ATOM 0 H VAL A 146 0.160 -4.572 -12.690 1.00 1.54 H new ATOM 0 HA VAL A 146 0.419 -5.480 -9.873 1.00 1.53 H new ATOM 0 HB VAL A 146 1.015 -3.075 -9.820 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.652 -1.396 -10.569 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.123 -2.420 -11.925 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.704 -2.704 -11.159 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.771 -2.344 -8.260 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.823 -3.652 -8.852 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.327 -4.043 -7.971 1.00 2.16 H new ATOM 2071 N SER A 147 -2.063 -5.967 -9.926 1.00 1.63 N ATOM 2072 CA SER A 147 -3.471 -6.411 -10.108 1.00 1.76 C ATOM 2073 C SER A 147 -4.346 -5.799 -9.012 1.00 2.04 C ATOM 2074 O SER A 147 -3.864 -5.398 -7.971 1.00 2.17 O ATOM 2075 CB SER A 147 -3.542 -7.937 -10.025 1.00 2.02 C ATOM 2076 OG SER A 147 -3.671 -8.473 -11.334 1.00 2.76 O ATOM 0 H SER A 147 -1.611 -6.296 -9.073 1.00 1.63 H new ATOM 0 HA SER A 147 -3.830 -6.084 -11.084 1.00 1.76 H new ATOM 0 HB2 SER A 147 -2.645 -8.329 -9.546 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.390 -8.240 -9.410 1.00 2.02 H new ATOM 0 HG SER A 147 -4.603 -8.396 -11.629 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.630 -5.723 -9.237 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.533 -5.136 -8.208 1.00 2.65 C ATOM 2084 C LEU A 148 -7.987 -5.429 -8.582 1.00 2.54 C ATOM 2085 O LEU A 148 -8.488 -4.956 -9.583 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.312 -3.622 -8.142 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.589 -2.932 -7.656 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.071 -3.594 -6.363 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.297 -1.453 -7.391 1.00 3.26 C ATOM 0 H LEU A 148 -6.092 -6.042 -10.089 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.315 -5.576 -7.235 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.486 -3.395 -7.468 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.034 -3.243 -9.125 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.362 -3.022 -8.419 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.980 -3.101 -6.019 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.278 -4.648 -6.549 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.299 -3.505 -5.599 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.205 -0.959 -7.045 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.523 -1.366 -6.628 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -6.955 -0.979 -8.311 1.00 3.26 H new ATOM 2101 N THR A 149 -8.670 -6.206 -7.786 1.00 2.09 N ATOM 2102 CA THR A 149 -10.091 -6.528 -8.098 1.00 2.24 C ATOM 2103 C THR A 149 -10.818 -6.928 -6.812 1.00 1.93 C ATOM 2104 O THR A 149 -10.346 -6.684 -5.719 1.00 1.84 O ATOM 2105 CB THR A 149 -10.144 -7.687 -9.095 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.500 -8.016 -9.364 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.429 -8.904 -8.506 1.00 2.42 C ATOM 0 H THR A 149 -8.305 -6.631 -6.934 1.00 2.09 H new ATOM 0 HA THR A 149 -10.575 -5.653 -8.532 1.00 2.24 H new ATOM 0 HB THR A 149 -9.650 -7.392 -10.021 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.537 -8.725 -10.040 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.468 -9.729 -9.218 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.389 -8.651 -8.301 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.920 -9.201 -7.579 1.00 2.42 H new ATOM 2115 N THR A 150 -11.963 -7.542 -6.933 1.00 1.92 N ATOM 2116 CA THR A 150 -12.719 -7.958 -5.718 1.00 1.72 C ATOM 2117 C THR A 150 -13.553 -9.200 -6.037 1.00 1.75 C ATOM 2118 O THR A 150 -13.135 -10.066 -6.780 1.00 2.00 O ATOM 2119 CB THR A 150 -13.645 -6.820 -5.281 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.125 -7.082 -3.969 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.826 -6.720 -6.247 1.00 1.66 C ATOM 0 H THR A 150 -12.408 -7.774 -7.821 1.00 1.92 H new ATOM 0 HA THR A 150 -12.019 -8.187 -4.914 1.00 1.72 H new ATOM 0 HB THR A 150 -13.094 -5.880 -5.287 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.367 -7.156 -3.352 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.484 -5.909 -5.934 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.457 -6.520 -7.253 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.380 -7.659 -6.243 1.00 1.66 H new